SCHEMBL953748

SCHEMBL953748

CCCC(C#N)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
TSHR P16473 1/20 0.43
AOC3 Q16853 2/20 0.42
LMNA P02545 1/20 0.39
HRH1 P35367 5/20 0.38
HTR2A P28223 4/20 0.38
CCR1 P32246 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
PBRM1 Q86U86 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL1445763 0.88 CCR1 (0.42) TRPA1TSHRLMNAHRH1HTR2A
SCHEMBL1310360 0.86 CCR1 (0.41) TRPA1TSHRHRH1HTR2ACCR1
SCHEMBL7754790 0.85 HTR2A (0.41) TRPA1TSHRHRH1HTR2ACCR1
SCHEMBL28686925 0.85 HTR2A (0.41) TRPA1TSHRHRH1HTR2ACCR1
SCHEMBL28978060 0.85 HTR2A (0.41) TRPA1TSHRHRH1HTR2ACCR1
SCHEMBL7309655 0.85 HTR2A (0.41) TRPA1TSHRHRH1HTR2ACCR1
SCHEMBL181368 0.83 TRPA1 (0.46) TRPA1TSHRAOC3LMNAHRH1
SCHEMBL1127660 0.82 TRPA1 (0.42) TRPA1TSHRAOC3LMNAHRH1
SCHEMBL7361321 0.81 SIGMAR1 (0.44) HRH1HTR2ACCR1MEN1KMT2A
SCHEMBL7294325 0.80 CCR1 (0.45) CCR1ALDH1A1HPGDGAAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724891-B Mn-L manganese complex and preparation method and application thereof 浙江工业大学 2025-03-04 CN disclosed
CN-114787120-B Compound and method for producing same, resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2024-08-09 CN disclosed
CN-112204076-B Resin composition, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2023-10-24 CN disclosed
CN-116813824-A Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2023-09-29 CN disclosed
CN-113646393-B Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2023-09-19 CN disclosed
EP-3921317-B1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AG (DE) 2023-08-02 EP disclosed
CN-116490555-A Copper-clad laminate and printed circuit board 三菱瓦斯化学株式会社 2023-07-25 CN disclosed
CN-113348079-B Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2023-06-02 CN disclosed
CN-115724891-A Manganese complex Mn-L and preparation method and application thereof 浙江工业大学 2023-03-03 CN disclosed
WO-2020161257-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2020-08-13 WO disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
US-20050038069-A1 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2005-02-17 US disclosed
US-6800645-B1 INHIBIT PRODUCTION OR PHYSIOLOGICAL EFFECTS OF TNF, INHIBIT CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LIMITED (GB) 2004-10-05 US disclosed
US-20020173527-A1 Substituted azabicyclic compounds ASTLES PETER CHARLES (GB) 2002-11-21 US disclosed
US-6303600-B1 USED IN THERAPY OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY RHONE-POULENC RORER LIMITED (GB) 2001-10-16 US disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO disclosed
US-4085216-A NEUROLEPTIC AGENTS BOEHRINGER INGELHEIM GMBH (DT) 1978-04-18 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 (3 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-20020173527-A1 Substituted azabicyclic compounds CBR1, NOX1, POR TRPA1 4125/4885TSHR 460/4885AOC3 131/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 TRPA1 1671/4885TSHR 25/4885AOC3 386/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B TRPA1 662/4885TSHR 222/4885AOC3 2269/4885

“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.