SCHEMBL1938618

SCHEMBL1938618

CC(C)(C)OC(=O)N1CCC(CO)(c2ccc(Br)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.48
TACR1 P25103 1/20 0.48
HSD11B1 P28845 1/20 0.45
ESRRB O95718 1/20 0.44
ESR1 P03372 1/20 0.44
ESRRA P11474 1/20 0.44
ESRRG P62508 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
FPR2 P25090 4/20 0.43
FPR3 P25089 3/20 0.43
CCR5 P51681 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL3022366 0.90 RORC (0.48) RORCTACR1ESRRBESR1ESRRA
SCHEMBL12289569 0.88 GPR119 (0.50) TACR1HSD11B1CCR5GPR119TSHR
SCHEMBL652130 0.87 MEN1 (0.53) TACR1HSD11B1CCR5OPRD1OPRK1
SCHEMBL2427295 0.87 TACR1 (0.51) RORCTACR1HSD11B1JAK2JAK1
SCHEMBL2270783 0.87 TACR1 (0.61) TACR1HSD11B1CCR5GPR119TSHR
SCHEMBL1939196 0.86 RORC (0.46) RORCTACR1ESRRBESR1ESRRA
SCHEMBL13404310 0.85 TACR1 (0.50) RORCTACR1HSD11B1JAK2JAK1
SCHEMBL16553815 0.85 GPR119 (0.53) TACR1HSD11B1CCR5GPR119TSHR
SCHEMBL3592235 0.85 TACR1 (0.48) TACR1HSD11B1JAK2JAK1CCR5
SCHEMBL16554013 0.84 TACR1 (0.48) TACR1HSD11B1CCR5GPR119TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383821-B2 NK-1 and serotonin transporter inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-8383821-B2 NK-1 and serotonin transporter inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
EP-1664022-B1 2-SUBSTITUTED BENZIMIDAZOLE PIPERIDINE ANALOGS AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS SCHERING CORP (US) 2011-06-15 EP disclosed
US-20100087434-A1 NK-1 and Serotonin Transporter Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-08 US disclosed
US-20100087434-A1 NK-1 and Serotonin Transporter Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-08 US disclosed
US-7511146-B2 2-substituted benzimidazole piperidines analogs as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7511146-B2 2-substituted benzimidazole piperidines analogs as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7511146-B2 2-substituted benzimidazole piperidines analogs as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2009009633-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
WO-2007121389-A2 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-25 WO disclosed
EP-1664022-A1 2-SUBSTITUTED BENZIMIDAZOLE PIPERIDINES ANALOGS AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS SCHERING CORPORATION (US) 2006-06-07 EP disclosed
WO-2005023798-A1 2-SUBSTITUTED BENZIMIDAZOLE PIPERIDINES ANALOGS AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS SCHERING CORPORATION (US) 2005-03-17 WO disclosed
US-20050054628-A1 2-Substituted benzimidazole piperidines analogs as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION 2005-03-10 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 (4 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-20050054628-A1 2-Substituted benzimidazole piperidines analogs as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders MCHR1, MCHR2, MC4R RORC 638/4885TACR1 104/4885HSD11B1 2023/4885
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 RORC 157/4885TACR1 835/4885HSD11B1 398/4885
US-20100087434-A1 NK-1 and Serotonin Transporter Inhibitors SLC6A4, TPH1, SLC6A2 RORC 3533/4885TACR1 19/4885HSD11B1 570/4885
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS SLC6A4, TPH1, SLC6A2 RORC 3533/4885TACR1 19/4885HSD11B1 570/4885

“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.