SCHEMBL2603294

SCHEMBL2603294

CC(C)N1CCCC(C)(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CHRNA7 P36544 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH3 Q9Y5N1 1/20 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
SCHEMBL21249758 0.91 CYP2D6 (0.37) CYP2D6HRH3
SCHEMBL2603296 0.90 CYP2D6 (0.45) CYP2D6CHRNA7KDM4EMEN1ALDH1A1
SCHEMBL21249811 0.88 CYP2D6 (0.34) CYP2D6CHRNA7
SCHEMBL21965035 0.86 CYP2D6 (0.35) CYP2D6CHRNA7HRH3
SCHEMBL4473518 0.81 LIPE (0.33) CYP2D6HRH3
SCHEMBL16980430 0.77 CYP2D6 (0.37) CYP2D6KDM4EMEN1ALDH1A1LMNA
SCHEMBL18471534 0.77 CYP2D6 (0.37) CYP2D6CHRNA7HRH3
SCHEMBL20111959 0.77 CYP2D6 (0.41) CYP2D6KDM4EMEN1ALDH1A1LMNA
SCHEMBL24576857 0.76 CYP2D6 (0.39) CYP2D6CHRNA7KDM4EMEN1ALDH1A1
SCHEMBL2603309 0.76 CYP2D6 (0.39) CYP2D6CHRNA7KDM4EMEN1ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
US-20230112485-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-04-13 US disclosed
WO-2014037340-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 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 (6 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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 CYP2D6 955/4885CHRNA7 1599/4885KDM4E 3805/4885
US-20230112485-A1 THERAPEUTIC COMPOUNDS BRDT, BRPF3, SNRPE CYP2D6 4859/4885CHRNA7 2755/4885KDM4E 3145/4885
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists PTPN5, PTPN1, PTPN2 CYP2D6 3885/4885CHRNA7 4848/4885KDM4E 1041/4885
US-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 CYP2D6 646/4885CHRNA7 2734/4885KDM4E 2053/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 CYP2D6 437/4885CHRNA7 3035/4885KDM4E 2261/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 CYP2D6 646/4885CHRNA7 2734/4885KDM4E 2053/4885

“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.