SCHEMBL12890875

SCHEMBL12890875

CC(C)N1CCC2(CCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.42
HRH3 Q9Y5N1 7/20 0.34
CHRNA7 P36544 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
VCP P55072 1/20 0.32
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 2/20 0.30

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
SCHEMBL24576857 0.95 CYP2D6 (0.39) CYP2D6HRH3CHRNA7ALDH1A1KDM4E
SCHEMBL10254913 0.95 CYP2D6 (0.42) CYP2D6HRH3CHRNA7ALDH1A1KDM4E
SCHEMBL12911789 0.92 CYP2D6 (0.41) CYP2D6HRH3CHRNA7ALDH1A1KDM4E
SCHEMBL10111445 0.92 CYP2D6 (0.46) CYP2D6HRH3CHRNA7ALDH1A1KDM4E
SCHEMBL14768435 0.90 CYP2D6 (0.39) CYP2D6HRH3CHRNA7ALDH1A1KDM4E
SCHEMBL19194777 0.90 CYP2D6 (0.39) CYP2D6HRH3CHRNA7ALDH1A1KDM4E
SCHEMBL7770721 0.89 CYP2D6 (0.45) CYP2D6HRH3CHRNA7ALDH1A1KDM4E
SCHEMBL12911786 0.88 CYP2D6 (0.38) CYP2D6HRH3CHRNA7ALDH1A1KDM4E
SCHEMBL19194778 0.88 CYP2D6 (0.38) CYP2D6HRH3CHRNA7ALDH1A1KDM4E
SCHEMBL24941850 0.87 CYP2D6 (0.35) CYP2D6HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239813-A1 KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2024-07-18 US disclosed
US-20240239813-A1 KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2024-07-18 US disclosed
US-20240239781-A1 1H-PYRAZOLE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2024-07-18 US disclosed
US-20240239811-A1 5-(5-(PIPERIDIN-4-YL)THIENO[3,2-C]PYRAZOL-2-YL]INDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE T REMIX THERAPEUTICS INC. 2024-07-18 US disclosed
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. 2024-07-04 US disclosed
EP-4393916-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-07-03 EP disclosed
US-20240067642-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-02-29 US disclosed
US-20240067642-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-02-29 US disclosed
EP-4327809-A2 TYK2 INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-02-28 EP disclosed
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-07 US disclosed
US-20160039834-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-02-11 US disclosed
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 US disclosed
US-20140221315-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ENDO PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-8729079-B2 Pyrimido-pyridazinone compounds and methods of use thereof ENDO PHARMACEUTICALS INC. (US) 2014-05-20 US disclosed
US-20130065881-A1 Tricyclic Compounds for Use as Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (ES) 2013-03-14 US disclosed
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ENDO PHARMACEUTICALS INC (US) 2013-02-28 US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 US disclosed
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 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 (11 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-20130065881-A1 Tricyclic Compounds for Use as Kinase Inhibitors PIM1, PIM2, PIM3 CYP2D6 1321/4885HRH3 2576/4885CHRNA7 4789/4885
US-20240239781-A1 1H-PYRAZOLE DERIVATIVES AS SIGMA LIGANDS SIGMAR1, TMEM97, OPRD1 CYP2D6 193/4885HRH3 192/4885CHRNA7 129/4885
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN BRDT, BET1, BRD4 CYP2D6 4337/4885HRH3 454/4885CHRNA7 3469/4885
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 CYP2D6 71/4885HRH3 973/4885CHRNA7 4828/4885
US-20140221315-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS CYP2D6 133/4885HRH3 866/4885CHRNA7 3862/4885
US-20240239813-A1 KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF KRAS, NRAS, HRAS CYP2D6 2058/4885HRH3 3426/4885CHRNA7 4878/4885
US-20240239811-A1 5-(5-(PIPERIDIN-4-YL)THIENO[3,2-C]PYRAZOL-2-YL]INDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE T HNRNPAB, HNRNPC, HNRNPA1 CYP2D6 4118/4885HRH3 2812/4885CHRNA7 4552/4885
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, SLC26A4 CYP2D6 3373/4885HRH3 2523/4885CHRNA7 966/4885
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS CYP2D6 133/4885HRH3 866/4885CHRNA7 3862/4885
US-20240067642-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 CYP2D6 3897/4885HRH3 2014/4885CHRNA7 4633/4885
US-20160039834-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, TIAM1, ADRM1 CYP2D6 1709/4885HRH3 1364/4885CHRNA7 3226/4885

“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.