SCHEMBL933476

SCHEMBL933476

C1=C2CCCNC2CCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
MEN1 O00255 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CHRM5 P08912 5/20 0.34
CHRM3 P20309 5/20 0.34
CHRM2 P08172 5/20 0.34
CHRM1 P11229 4/20 0.34
CHRM4 P08173 4/20 0.34

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
SCHEMBL23085581 0.92 KDM1A (0.40) KDM1AMEN1CYP2D6CYP2C19KMT2A
SCHEMBL28164961 0.92 KDM1A (0.40) KDM1AMEN1CYP2D6CYP2C19KMT2A
SCHEMBL27320258 0.90 CHRM5 (0.39) KDM1AMEN1KMT2ACHRNB2CHRNA7
SCHEMBL19457103 0.88
SCHEMBL14899968 0.86 KDM1A (0.35) KDM1AMEN1CYP2D6CYP2C19KMT2A
SCHEMBL5752748 0.83
SCHEMBL12632397 0.83
SCHEMBL6047335 0.74
SCHEMBL14823372 0.72 CHRM5 (0.38) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL7625537 0.72 KDM1A (0.39) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253533-A1 DISUBSTITUTED 5(3)-PYRAZOLE CARBOXYLATES AND A PROCESS FOR THEIR PREPARATION FROM ENOLATES AND FLUOROALKYLAMINOREAGENTS (FAR) REAGENTS BAYER AG (DE) 2021-08-19 US claimed
EP-3807250-A1 DISUBSTITUTED 5(3)-PYRAZOLE CARBOXYLATES AND A PROCESS FOR THEIR PREPARATION FROM ENOLATES AND FLUOROALKYLAMINOREAGENTS (FAR) REAGENTS Bayer Aktiengesellschaft (DE) 2021-04-21 EP claimed
WO-2019243179-A1 DISUBSTITUTED 5(3)-PYRAZOLE CARBOXYLATES AND A PROCESS FOR THEIR PREPARATION FROM ENOLATES AND FLUOROALKYLAMINOREAGENTS (FAR) REAGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-12-26 WO claimed
EP-2707373-A1 BICYCLIC (THIO)CARBONYLAMIDINES Bayer Intellectual Property GmbH (DE) 2014-03-19 EP claimed
WO-2012152741-A1 BICYCLIC (THIO)CARBONYLAMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-15 WO claimed
WO-2011009026-A1 FUNCTIONALIZED CARBON NANOSTRUCTURES WHICH ARE SOLUBLE IN HYDROCARBONS AND METHOD FOR PREPARATION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-01-20 WO claimed
EP-1945748-A4 METALS COMPATIBLE PHOTORESIST AND/OR SACRIFICIAL ANTIREFLECTIVE COATING REMOVAL COMPOSITION ADVANCED TECH MATERIALS (US) 2009-01-07 EP claimed
EP-1949424-A2 COMPOSITION AND METHOD FOR SELECTIVELY ETCHING GATE SPACER OXIDE MATERIAL ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2008-07-30 EP claimed
EP-1945748-A2 METALS COMPATIBLE PHOTORESIST AND/OR SACRIFICIAL ANTIREFLECTIVE COATING REMOVAL COMPOSITION ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2008-07-23 EP claimed
WO-2007047365-A2 METALS COMPATIBLE PHOTORESIST AND/OR SACRIFICIAL ANTIREFLECTIVE COATING REMOVAL COMPOSITION ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2007-04-26 WO claimed
WO-2007044447-A2 COMPOSITION AND METHOD FOR SELECTIVELY ETCHING GATE SPACER OXIDE MATERIAL ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2007-04-19 WO claimed
WO-2007027522-A2 COMPOSITION AND METHOD FOR REMOVING THICK FILM PHOTORESIST ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2007-03-08 WO claimed
EP-3750928-B1 ACRYLIC COPOLYMER, PREPARATION METHOD THEREFOR, AND ACRYLIC COPOLYMER COMPOSITION COMPRISING SAME LG CHEMICAL LTD (KR) 2024-02-21 EP disclosed
WO-2023162975-A1 SEALING RESIN COMPOSITION AND SEMICONDUCTOR DEVICE 住友ベークライト株式会社 2023-08-31 WO disclosed
WO-2023117914-A1 CYCLOPENTATHIOPHENE CARBOXAMIDE DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-29 WO disclosed
WO-2022202434-A1 CONDUCTIVE PASTE, AND SEMICONDUCTOR DEVICE 住友ベークライト株式会社 2022-09-29 WO disclosed
WO-2000064858-A1 BIPOLAR LIPIDS AND THEIR USE FOR THE DELIVERY OF BIOACTIVE SUBSTANCES CELLTECH R&D LIMITED (GB) 2000-11-02 WO disclosed
EP-0871630-A1 4a,5a,8a,8b-TETRAHYDRO-6H-PYRROLO 3,4':4,5]FURO(3,2-b)PYRIDINE-6,8 7H]-DIONE DERIVATIVES FOR USE IN CONTROLLING ENDOPARASITES AND A METHOD OF PRODUCING SAID DERIVATIVES BAYER AG (DE) 1998-10-21 EP disclosed
EP-0866074-A1 NOVEL NK374186 ANALOGUES OR PHARMACOLOGICALLY ACCEPTABLE SALTS THEREOF NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1998-09-23 EP disclosed
WO-1997014695-A1 4a,5a,8a,8b-TETRAHYDRO-6H-PYRROLO[3,4':4,5]FURO(3,2-b)PYRIDINE-6,8[7H]-DIONE DERIVATIVES FOR USE IN CONTROLLING ENDOPARASITES AND A METHOD OF PRODUCING SAID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-24 WO 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-20210253533-A1 DISUBSTITUTED 5(3)-PYRAZOLE CARBOXYLATES AND A PROCESS FOR THEIR PREPARATION FROM ENOLATES AND FLUOROALKYLAMINOREAGENTS (FAR) REAGENTS FAR1, CBR3, AFF4 KDM1A 2801/4885MEN1 1389/4885CYP2D6 712/4885

“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.