SCHEMBL379020

SCHEMBL379020

NC(=O)C1(c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.49
APP P05067 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
LMNA P02545 1/20 0.44
HDAC1 Q13547 1/20 0.41
MAOB P27338 2/20 0.41
KCNN4 O15554 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOA P21397 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
Hydrochloric Acid SCHEMBL5794598 0.98 HSD11B1 (0.48) HSD11B1APPCYP3A4CYP2C9CYP2C19
SCHEMBL42559 0.92 LMNA (0.53) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL10002400 0.92 LMNA (0.49) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3842811 0.90 LMNA (0.55) HSD11B1LMNAHDAC1ALDH1A1
SCHEMBL2701756 0.87 ALOX5 (0.49) HSD11B1OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL8353580 0.86 HSD11B1 (0.46) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL12227097 0.84 OPRM1 (0.62) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3970990 0.83 HSD11B1 (0.49) HSD11B1APPCYP3A4CYP2C9CYP2C19
SCHEMBL19817411 0.82 IDO1 (0.43) HSD11B1CYP2C9OPRM1OPRD1OPRK1
SCHEMBL20491252 0.82 HSD11B1 (0.47) HSD11B1OPRM1ALDH1A1

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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110240563-A A kind of rich preparation method for Buddhist nun of card 南京法恩化学有限公司 2019-09-17 CN claimed
CN-108264482-A It is a kind of to block the rich preparation method for Buddhist nun 南京法恩化学有限公司 2018-07-10 CN claimed
EP-2635562-B1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2014-09-03 EP claimed
EP-2635562-A1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-11 EP claimed
US-8524710-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US claimed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US claimed
WO-2012059507-A1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-10 WO claimed
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-05-10 US claimed
EP-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 EP claimed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US claimed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
EP-3798217-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-22 EP disclosed
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-11214548-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2022-01-04 US disclosed
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 EP disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use GILEAD SCIENCES, INC. 2005-12-22 US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 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 (8 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-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use TYMP, MTAP, PNP HSD11B1 4655/4885APP 4726/4885CYP3A4 3229/4885
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES CTSD, CTSV, CTSS HSD11B1 3654/4885APP 448/4885CYP3A4 643/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE HSD11B1 1716/4885APP 2820/4885CYP3A4 1961/4885
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 HSD11B1 3638/4885APP 2525/4885CYP3A4 1349/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 HSD11B1 3497/4885APP 197/4885CYP3A4 2898/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE HSD11B1 1716/4885APP 2820/4885CYP3A4 1961/4885
US-11214548-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 HSD11B1 3497/4885APP 197/4885CYP3A4 2898/4885
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 HSD11B1 716/4885APP 4351/4885CYP3A4 3301/4885

“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.