SCHEMBL2531600

SCHEMBL2531600

N#Cc1ccc2[nH]cc(CCN)c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.64
HTR2A P28223 7/20 0.60
HTR1D P28221 7/20 0.60
HTR1A P08908 6/20 0.60
TRPM8 Q7Z2W7 4/20 0.60
HTR1B P28222 4/20 0.60
HTR2C P28335 3/20 0.60
HTR7 P34969 3/20 0.60
HTR2B P41595 2/20 0.60
CYP1A2 P05177 2/20 0.60
TSHR P16473 2/20 0.60
HTR6 P50406 2/20 0.60
HTR4 Q13639 2/20 0.60
MPO P05164 1/20 0.60
HTR3E A5X5Y0 1/20 0.60
HTR3B O95264 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
DRD1 P21728 1/20 0.60

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
Hydrochloric Acid SCHEMBL7494814 0.98 SLC6A4 (0.63) SLC6A4HTR2AHTR1DHTR1ATRPM8
SCHEMBL5234124 0.91 SLC6A4 (0.69) SLC6A4HTR1AMPO
SCHEMBL4833994 0.90 SLC6A4 (0.67) SLC6A4HTR1AMPO
SCHEMBL31573289 0.88 HTR2A (0.65) SLC6A4HTR2AHTR1DHTR1ATRPM8
SCHEMBL2539430 0.88 HTR2A (0.65) SLC6A4HTR2AHTR1DHTR1ATRPM8
SCHEMBL25244606 0.84 SLC6A4 (0.64) SLC6A4DRD3
SCHEMBL8136598 0.84 SLC6A4 (0.64) SLC6A4HTR2CCYP2D6DRD3
SCHEMBL12881233 0.84 SLC6A4 (0.68) SLC6A4HTR1ADRD3KMT2A
SCHEMBL6108317 0.84 SLC6A4 (0.64) SLC6A4DRD3
SCHEMBL27402888 0.84 SLC6A4 (0.64) SLC6A4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024140687-A1 S1PR2 REGULATOR AND USE THEREOF 北京昌平实验室 2024-07-04 WO disclosed
CN-118255830-A S1PR2 modulators and uses thereof 北京昌平实验室 2024-06-28 CN disclosed
EP-2651887-B1 N-(2-(5-substituted-1H-indol-3-yl)ethyl)biphenyl-4-carboxamide derivatives and related compounds as Tau-aggregation induced toxicity inhibitors for the treatment of neurodegenerative disorders UNIV LEUVEN KATH (BE) 2016-08-24 EP disclosed
US-9284271-B2 Compounds for the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2016-03-15 US disclosed
US-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SOLACE PHARMACEUTICALS UK LTD. (GB) 2016-02-04 US disclosed
EP-1859798-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2015-12-30 EP disclosed
US-9169234-B2 Sepiapterin reductase inhibitors for the treatment of pain CHILDREN'S MEDICAL CENTER CORPORATION (US) 2015-10-27 US disclosed
US-8921576-B2 Spiroindoline compound, and medicinal agent comprising same KOWA COMPANY, LTD. (JP) 2014-12-30 US disclosed
US-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME KOWA COMPANY, LTD (JP) 2014-10-16 US disclosed
EP-2781521-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2014-09-24 EP disclosed
WO-1993021182-A1 HETEROAROMATIC 5-HYDROXYTRYPTAMINE RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1993-10-28 WO disclosed
WO-1993020066-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1993-10-14 WO disclosed
US-5194440-A Treatment for migraine; selective agonist MERCK SHARP & DOHME LTD. (GB) 1993-03-16 US disclosed
EP-0501568-A1 Substituted cyclic sulphamide derivatives MERCK SHARP & DOHME LTD. (GB) 1992-09-02 EP disclosed
EP-0497512-A2 Imidazole, triazole and tetrazole derivatives MERCK SHARP & DOHME LTD. (GB) 1992-08-05 EP disclosed
EP-0438230-A2 Indole-substituted five-membered heteroaromatic compounds MERCK SHARP & DOHME LTD. (GB) 1991-07-24 EP disclosed
EP-0225726-B1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-04-17 EP disclosed
US-4833153-A VASOCONSTRICTORS, MIGRAINES GLAXO GROUP LIMITED (GB) 1989-05-23 US disclosed
EP-0225726-A1 Indole derivatives GLAXO GROUP LIMITED (GB) 1987-06-16 EP disclosed
US-4252803-A HYPOTENSIVE AGENTS, ANALGESICS GLAXO GROUP LIMITED (GB) 1981-02-24 US 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 (2 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-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SPR, QDPR, SRR SLC6A4 294/4885HTR2A 1809/4885HTR1D 1949/4885
US-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME GCKR, GCK, GALK1 SLC6A4 2211/4885HTR2A 3442/4885HTR1D 2466/4885

“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.