SCHEMBL2603286

SCHEMBL2603286

CC(C)N1CCC(c2ccc(F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.47
ESRRG P62508 4/20 0.47
ESRRB O95718 3/20 0.47
ESR1 P03372 3/20 0.47
PDE9A O76083 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
ATM Q13315 1/20 0.42
PARP1 P09874 1/20 0.42
CCR5 P51681 1/20 0.41
CCR1 P32246 1/20 0.40
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40

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
SCHEMBL23993613 1.00 KCNH2 (0.47) KCNH2ESRRGESRRBESR1PDE9A
SCHEMBL2603275 0.90 DRD2 (0.53) KCNH2ESRRGESRRBESR1PDE9A
SCHEMBL2603274 0.89 ESRRG (0.55) KCNH2ESRRGESRRBESR1HRH3
SCHEMBL2603330 0.89 DRD2 (0.49) KCNH2ESRRGESRRBESR1PDE9A
SCHEMBL25004304 0.85 HRH3 (0.44) KCNH2ESRRGESRRBESR1PDE9A
SCHEMBL14544201 0.84 RAB9A (0.47) KCNH2ESRRGESRRBESR1NPC1
SCHEMBL2603322 0.83 KCNH2 (0.51) KCNH2ESRRGESRRBESR1NPC1
SCHEMBL16980529 0.83 HPGD (0.46) KCNH2ESRRGESRRBESR1HRH3
SCHEMBL20995105 0.83 ESRRG (0.44) KCNH2ESRRGESRRBESR1NPC1
SCHEMBL7331632 0.82 ESRRB (0.46) KCNH2ESRRGESRRBESR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
WO-2017051354-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-30 WO disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 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-8148404-B2 Modulators of CB1 receptors 7TM PHARMA A/S (DK) 2012-04-03 US disclosed
US-20100144701-A1 Modulators of CB1 Receptors 7TM PHARMA A/S (DK) 2010-06-10 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-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 KCNH2 4329/4885ESRRG 486/4885ESRRB 119/4885
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R KCNH2 542/4885ESRRG 811/4885ESRRB 1716/4885
US-20100144701-A1 Modulators of CB1 Receptors CNR1, CNR2, GPR6 KCNH2 1148/4885ESRRG 262/4885ESRRB 226/4885

“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.