SCHEMBL4293214

SCHEMBL4293214

CC(C)(C)OC(=O)N1CCC(O)(c2cccc(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ OPRL1 P41146 1/20 0.49
▸ GPR119 Q8TDV5 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ TACR1 P25103 1/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ MC4R P32245 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ RORC P51449 1/20 0.44
▸ PKLR P30613 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 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
SCHEMBL9901785 0.87 GPR119 (0.44) OPRM1OPRD1OPRK1OPRL1GPR119
SCHEMBL3387610 0.87 HDAC2 (0.43) OPRD1OPRK1GPR119TACR1TSHR
SCHEMBL28872345 0.86 GPR119 (0.47) OPRD1OPRK1GPR119ALDH1A1TACR1
SCHEMBL7831565 0.86 GPR119 (0.54) OPRM1OPRD1OPRK1OPRL1GPR119
SCHEMBL13660794 0.85 TACR1 (0.56) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL521464 0.85 NR1H2 (0.48) OPRD1OPRK1GPR119ALDH1A1TACR1
SCHEMBL19690249 0.85 TSHR (0.46) OPRD1OPRK1GPR119ALDH1A1TACR1
SCHEMBL3028439 0.85 STS (0.50) OPRD1OPRK1ALDH1A1TACR1TSHR
SCHEMBL29892887 0.85 STS (0.50) OPRD1OPRK1ALDH1A1TACR1TSHR
SCHEMBL6160544 0.84 CNR1 (0.47) OPRD1OPRK1OPRL1GPR119TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 — — US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 — — US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 — — US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 — — US disclosed
WO-2009124733-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-10-15 — — WO disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 — — 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 (2 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-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 OPRM1 645/4885OPRD1 440/4885OPRK1 395/4885
US-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 OPRM1 133/4885OPRD1 129/4885OPRK1 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.

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