SCHEMBL96478

SCHEMBL96478

[CH2]c1ccc(SCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.47
MAOA P21397 2/20 0.47
GSK3B P49841 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
GRK6 P43250 1/20 0.33
SLC2A1 P11166 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL346860 0.86 SLC6A4 (0.56) SLC6A4MAOAGSK3BRAB9ANPC1
SCHEMBL7496543 0.80 CA12 (0.52) SLC6A4MAOARAB9ANPC1SLC2A1
SCHEMBL10316183 0.78 SLC6A4 (0.50) SLC6A4MAOAGSK3BRAB9ANPC1
SCHEMBL8591154 0.78 SLC6A4 (0.50) SLC6A4MAOAGSK3BRAB9ANPC1
SCHEMBL9793575 0.78 SLC6A4 (0.50) SLC6A4MAOAGSK3BRAB9ANPC1
SCHEMBL10843454 0.77 MAOA (0.53) MAOARAB9ANPC1SLC2A1CA12
SCHEMBL169195 0.76 SLC6A4 (0.48) SLC6A4MAOARAB9ANPC1ALDH1A1
SCHEMBL13940796 0.76 SLC6A4 (0.48) SLC6A4MAOAALDH1A1
SCHEMBL19454683 0.74 SLC6A4 (0.52) SLC6A4MAOAGSK3BRAB9ANPC1
SCHEMBL3371540 0.74 NR1H2 (0.50) SLC6A4MAOARAB9ANPC1CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US claimed
US-6030978-A EXHIBIT FUNGICIDAL EFFECT OR GROWTH-INHIBITORY EFFECT AGAINST FUNGI INCLUDING CUTANEOUS FILAMENTOUS FUNGUS, SUCH AS EPIDERMOPHYTON, MICROSPORUM, TRICHOPHYTON, SPOROTHRIX SCHENCKII, ASPERGILLUS OR CANDIDA; NONTOXICITY; HANWHA CORPORATION (KR) 2000-02-29 US claimed
US-6008356-A BRBERINE SALT DERIVATIVE IS REACTED WITH SODIUM TETRABORATE AND POTASSIUM CARBONATE IN ALCOHOL SOLVEANT TO FORM INTERMEDIATE, REACTING INTERMEDIATE WITH ALKYL SUBSTITUENT IN ACETONITRILE SOLVENT, OXIDIZING THE FORMED INTERMEDIATE HANWHA CORPORATION (KR) 1999-12-28 US claimed
US-4591376-A PLANT GROWTH REGULATORS SCHERING AKTIENGESELLSCHAFT (DE) 1986-05-27 US claimed
EP-0126234-A2 1,2,3-Thiadiazol-3-in-5-ylidene ureas, their preparation and compositions as plant-growth regulators and defoliants SCHERING AKTIENGESELLSCHAFT (DE) 1984-11-28 EP claimed
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2024-06-27 US disclosed
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2023-09-12 US disclosed
US-20220024937-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2022-01-27 US disclosed
US-11136328-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-10-05 US disclosed
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-07-22 US disclosed
US-11000526-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-05-11 US disclosed
US-20200299300-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2020-09-24 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5563159-A Dithiocarbonimide derivatives useful as acaricidal, fungicidal, and insecticidal agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-08 US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
EP-0649839-A1 Isoquinolinone-, phthalazinone-, quinazolinone- and benzotriazolinone derivatives, their preparation and their use as anti-thrombotics LUITPOLD PHARMA GmbH (DE) 1995-04-26 EP disclosed
WO-1995009842-A1 ISOQUINOLINONE-, PHTHALAZINONE-, QUINAZOLINONE- AND BENZOTRIAZOLINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTI-THROMBOTICS LUITPOLD PHARMA GMBH (DE) 1995-04-13 WO disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
US-4591376-A PLANT GROWTH REGULATORS SCHERING AKTIENGESELLSCHAFT (DE) 1986-05-27 US disclosed
EP-0126234-A2 1,2,3-Thiadiazol-3-in-5-ylidene ureas, their preparation and compositions as plant-growth regulators and defoliants SCHERING AKTIENGESELLSCHAFT (DE) 1984-11-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11000526-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B SLC6A4 89/4885MAOA 296/4885GSK3B 2923/4885
US-20200299300-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A SLC6A4 606/4885MAOA 837/4885GSK3B 3057/4885
US-20220024937-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A SLC6A4 606/4885MAOA 837/4885GSK3B 3057/4885
US-11136328-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists GRIN3A, GRIN1, GRIN2A SLC6A4 606/4885MAOA 837/4885GSK3B 3057/4885
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B SLC6A4 89/4885MAOA 296/4885GSK3B 2923/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B SLC6A4 89/4885MAOA 296/4885GSK3B 2923/4885
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B SLC6A4 89/4885MAOA 296/4885GSK3B 2923/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.