SCHEMBL1752148

SCHEMBL1752148

CC(C#N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.52
TAAR1 Q96RJ0 4/20 0.52
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
MAOA P21397 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
MAOB P27338 1/20 0.52
CYP2D6 P10635 2/20 0.48
SLC18A2 Q05940 1/20 0.48
TRPA1 O75762 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44

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
SCHEMBL14452762 1.00 SIGMAR1 (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL13593628 1.00 SIGMAR1 (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8763089 0.88 ESR2 (0.42) TAAR1SLC6A2SLC6A3MAOBCYP1A2
SCHEMBL10322372 0.88 CTSK (0.47) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL14321654 0.87 MAOB (0.42) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL11438148 0.83 LTA4H (0.52)
SCHEMBL25922317 0.83 MAOB (0.58) SIGMAR1SLC6A2SLC6A3MAOAMAOB
Hydrochloric Acid SCHEMBL9714489 0.82 SNCA (0.49) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3883062 0.80 TSHR (0.43) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL26936224 0.80 ACACB (0.40) TAAR1CYP2A6MAOBCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113652441-B Preparation method and application of R-cyanohydrin lyase 江西科苑生物股份有限公司 2023-10-13 CN claimed
US-20260007672-A1 INHIBITORS OF MPTP NRG THERAPEUTICS LTD (GB) 2026-01-08 US disclosed
US-12491185-B2 Inhibitors of mPTP NRG THERAPEUTICS LTD (GB) 2025-12-09 US disclosed
EP-4652162-A1 INHIBITORS OF MPTP NRG Therapeutics LTD (GB) 2025-11-26 EP disclosed
US-20250177397-A1 INHIBITORS OF MPTP NRG THERAPEUTICS LTD (GB) 2025-06-05 US disclosed
WO-2024153946-A1 INHIBITORS OF MPTP NRG THERAPEUTICS LTD (GB) 2024-07-25 WO disclosed
EP-3383838-B1 PROCESS FOR THE CATALYTIC REVERSIBLE UNSATURATED HYDROCARBON-NITRILE INTERCONVERSION STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2023-10-25 EP disclosed
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2023-10-05 US disclosed
CN-115974730-A Method for synthesizing organic sulfate by persulfate 湖南大学 2023-04-18 CN disclosed
CN-109790423-B Optical adhesive layer, method for producing optical adhesive layer, optical film with adhesive layer, and image display device 日东电工株式会社 2022-12-06 CN disclosed
CN-101522637-A Benzimidazole derivatives useful for the treatment of vanilloid receptor 1-related disorders ASTRAZENECA AB (SE) 2009-09-02 CN disclosed
EP-1986996-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST Abiogen Pharma S.p.A. (IT) 2008-11-05 EP disclosed
WO-2007088571-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2007-08-09 WO disclosed
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5382727-A Free radical chlorination of 1,1-dichloroethane PPG INDUSTRIES, INC. (US) 1995-01-17 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 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 (4 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-12491185-B2 Inhibitors of mPTP PARK7, PINK1, SNCA SIGMAR1 680/4885TAAR1 728/4885SLC6A2 45/4885
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ SIGMAR1 4787/4885TAAR1 3368/4885SLC6A2 4611/4885
US-20250177397-A1 INHIBITORS OF MPTP PARK7, PINK1, SNCA SIGMAR1 680/4885TAAR1 728/4885SLC6A2 45/4885
US-20260007672-A1 INHIBITORS OF MPTP PARK7, SNCA, CYC1 SIGMAR1 60/4885TAAR1 195/4885SLC6A2 85/4885

“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.