SCHEMBL2925344

SCHEMBL2925344

CCON1CCNCC1=C=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 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
Pyridine SCHEMBL28202627 0.87 CHRNB2 (0.31) CHRNB2CHRNA4
SCHEMBL27379876 0.84 HRH2 (0.32)
SCHEMBL10961104 0.80 ADRB1 (0.31) HTR2CHTR2B
SCHEMBL5919636 0.77
SCHEMBL28276943 0.76
SCHEMBL27464507 0.73 HTR2C (0.30) HTR2CHTR2B
Water SCHEMBL27462314 0.71
SCHEMBL27599460 0.70
SCHEMBL6014549 0.70
SCHEMBL3026612 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0020303-B1 GUANIDINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING SUCH COMPOUNDS AND THEIR APPLICATION CIBA-GEIGY AG (CH) 1985-08-28 EP claimed
CN-101868469-B Phosphonic acid derivatives and their use as P2Y12Receptor antagonists ACTELION PHARMACEUTICALS LTD 2014-04-02 CN disclosed
CN-103649055-A Method for manufacturing pyrazole derivative MITSUBISHI TANABE PHARMA CORP 2014-03-19 CN disclosed
US-8518912-B2 Phosphonic acid derivates and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-08-27 US disclosed
CN-101663293-B Quinoline-carboxamide derivatives as p2y12 antagonists SANOFI AVENTIS SPA 2013-07-31 CN disclosed
CN-1918137-B Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2012-08-01 CN disclosed
CN-101528715-B 2-phenyl-6-aminocarbonyl-pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2011-08-24 CN disclosed
CN-1902196-B Thiazole derivatives KYOWA HAKKO KOGYO KK 2010-12-29 CN disclosed
CN-101868469-A Phosphonic acid derivatives and their use as P2Y12ReceptorsAntagonists ACTELION PHARMACEUTICALS LTD 2010-10-20 CN disclosed
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 US disclosed
CN-1805965-A Modulators of chemokine receptor activity MERCK & CO INC (US) 2006-07-19 CN disclosed
CN-1531538-A 4-amino-5-phenyl-7-cyclobutyl-pyrrolo (2,3-D) pyrimidie derivatives ��˹��ŵ�� 2004-09-22 CN disclosed
CN-1474813-A Substituted 2-phenylaminoimidazolinylphenyl ketone derivatives as IP antagonists - 2004-02-11 CN disclosed
CN-1127493-C 1-(N-phenylaminoalkyl)-piperazine derivatives substituted at position 2 of phenyl ring RECORDATI CHEM PHARM (CH) 2003-11-12 CN disclosed
CN-1265654-A 1-(N-phenylaminoalkyl)-piperazine derivatives substituted at position 2 of phenyl ring RECORDATI CHEM PHARM (CH) 2000-09-06 CN disclosed
CN-1051299-C Tetrahydrophthamide derivative medium for preparation of same, preparation of same and herbcide which uses same as effective composition SAGAMI CHEM RES (JP) 2000-04-12 CN disclosed
CN-1084847-A Tetrahydrochysene butyl benzene orthobenzol diacid amide derivative and its preparation intermediate and manufacture method thereof and with its weedicide as effective constituent SAGAMI CHEM RES (JP) 1994-04-06 CN disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed
EP-0076996-B1 CARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1986-01-02 EP disclosed
EP-0035363-B1 INDANE DERIVATIVES, METHODS OF THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM KEFALAS A/S (DK) 1985-05-02 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 (1 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-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 HTR2C 679/4885HTR2B 303/4885CHRNB2 1974/4885

“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.