SCHEMBL701615

SCHEMBL701615

CC(C)(C)OC(=O)N1CCC(CO)(c2cccnc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.52
NAMPT P43490 6/20 0.52
TACR1 P25103 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
CCR5 P51681 2/20 0.45
GBA1 P04062 1/20 0.45
CYP2C9 P11712 1/20 0.44
HSD11B1 P28845 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL3326591 0.90 GPR119 (0.51) GPR119NAMPTTACR1OPRD1OPRK1
SCHEMBL703396 0.89 CCR5 (0.49) GPR119NAMPTTACR1OPRD1OPRK1
SCHEMBL10246190 0.88 NAMPT (0.49) GPR119NAMPTTACR1OPRD1OPRK1
SCHEMBL701369 0.87 NAMPT (0.48) GPR119NAMPTTACR1OPRD1OPRK1
SCHEMBL10246201 0.86 GPR119 (0.50) GPR119NAMPTTACR1OPRD1OPRK1
SCHEMBL10246265 0.86 NAMPT (0.48) GPR119NAMPTTACR1OPRD1OPRK1
SCHEMBL3592235 0.85 TACR1 (0.48) GPR119NAMPTTACR1OPRD1OPRK1
SCHEMBL2270783 0.85 TACR1 (0.61) GPR119TACR1OPRD1OPRK1CCR5
SCHEMBL703385 0.85 CCR5 (0.56) GPR119NAMPTTACR1OPRD1OPRK1
SCHEMBL2629481 0.84 ALDH1A1 (0.60) GPR119NAMPTOPRD1OPRK1GBA1

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 37 patents — showing the first 20. 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
US-8383821-B2 NK-1 and serotonin transporter inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8071778-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-06 US disclosed
US-8071778-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-06 US disclosed
US-20090030040-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-29 US disclosed
WO-2008014247-A2 4 -ARYLALKOXYMETHYL-4- PHENYL PIPERIDINES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-31 WO disclosed
WO-2008014247-A2 4 -ARYLALKOXYMETHYL-4- PHENYL PIPERIDINES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-31 WO disclosed
US-20080027056-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 US disclosed
US-20080027056-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 US disclosed
US-20080027056-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 US 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
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

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-20080027056-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS CNR1, CNR2, PMP22 GPR119 713/4885NAMPT 3492/4885TACR1 835/4885
US-20090030040-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 GPR119 713/4885NAMPT 3492/4885TACR1 835/4885
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS SLC6A4, TPH1, SLC6A2 GPR119 298/4885NAMPT 1264/4885TACR1 19/4885

“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.