SCHEMBL4042874

SCHEMBL4042874

NC1CCc2cc(F)ccc2C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.62
PLAU P00749 1/20 0.57
MAPT P10636 2/20 0.53
NFKB1 P19838 1/20 0.53
THPO P40225 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
DRD2 P14416 3/20 0.53
DRD3 P35462 3/20 0.53
KDM4E B2RXH2 1/20 0.52
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50

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
SCHEMBL6950353 1.00 OPRK1 (0.62) OPRK1PLAUMAPTNFKB1THPO
Hydrochloric Acid SCHEMBL5389510 0.98 OPRK1 (0.61) OPRK1PLAUMAPTNFKB1THPO
Hydrochloric Acid SCHEMBL6958152 0.98 OPRK1 (0.61) OPRK1PLAUMAPTNFKB1THPO
Hydrochloric Acid SCHEMBL5389505 0.98 OPRK1 (0.61) OPRK1PLAUMAPTNFKB1THPO
SCHEMBL4145911 0.92 DRD2 (0.62) OPRK1PLAUMAPTNFKB1THPO
SCHEMBL6957430 0.92 DRD2 (0.62) OPRK1PLAUMAPTNFKB1THPO
Hydrochloric Acid SCHEMBL6953176 0.91 DRD2 (0.61) OPRK1PLAUMAPTNFKB1THPO
Hydrochloric Acid SCHEMBL6953171 0.91 DRD2 (0.61) OPRK1PLAUMAPTNFKB1THPO
SCHEMBL12607361 0.84 CA1 (0.50) OPRK1PLAUDRD2DRD3HTR1D
SCHEMBL1240585 0.84 CA1 (0.50) OPRK1PLAUDRD2DRD3HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114075141-B Opioid receptor \"bias\" ligand, preparation method and medical application thereof 上海致根医药科技有限公司 2025-02-25 CN disclosed
CN-114075141-A Opioid receptor 'bias' ligand, preparation method and application thereof in medicine 上海致根医药科技有限公司 2022-02-22 CN disclosed
US-11198685-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2021-12-14 US disclosed
EP-3189048-B1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-03-17 EP disclosed
EP-3189048-B1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-03-17 EP disclosed
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same MEBIAS DISCOVERY, INC. 2020-10-01 US disclosed
US-10683283-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2020-06-16 US disclosed
US-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors CTXT PTY. LTD. (AU) 2018-06-26 US disclosed
US-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors CTXT PTY. LTD. (AU) 2018-06-26 US disclosed
US-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors CTXT PTY. LTD. (AU) 2018-06-26 US disclosed
EP-1409468-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-04-21 EP disclosed
US-6638927-B2 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl) -ethyl)-benzamide for example CHIRON CORPORATION 2003-10-28 US disclosed
US-20030199499-A1 Novel guanidinobenzamides CHIRON CORPORATION 2003-10-23 US disclosed
EP-0757677-B1 BENZOCYCLOHEXYLIMIDAZOLETHIONE DERIVATIVES SYNTEX LLC (US) 2003-06-18 EP disclosed
US-20020137939-A1 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl)-ethyl)-benzamide for example CHIRON CORPORATION 2002-09-26 US disclosed
WO-2002018327-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2002-03-07 WO disclosed
US-5719280-A REACTING AMINE SUBSTITUTED BENZOCYCLOALKANE WITH DIALKYLOXYACETALDEHYDE IN PRESENCE OF REDUCING AGENT OR CATALYTIC HYDROGENATION, TREATING WITH THIOCYANIC ACID SYNTEX (U.S.A.) INC. (US) 1998-02-17 US disclosed
EP-0757677-A1 BENZOCYCLOALKYLAZOLETHIONE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1997-02-12 EP disclosed
US-5538988-A CARDIOVASCULAR DISORDERS AND DOPAMINE HYDROLASE ENZYME INHIBITORS SYNTEX (U.S.A.) INC. 1996-07-23 US disclosed
WO-1995029165-A2 BENZOCYCLOALKYLAZ0LETHIONE DERIVATIVES AS DOPAMIN BETA-HYDROXYLASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-11-02 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 (6 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-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors PRMT5, PRMT1, PRMT3 OPRK1 2424/4885PLAU 4388/4885MAPT 3623/4885
US-10683283-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R OPRK1 158/4885PLAU 207/4885MAPT 730/4885
US-20030199499-A1 Novel guanidinobenzamides GUCY1B2, GPR119, GUCY1B1 OPRK1 651/4885PLAU 1210/4885MAPT 4108/4885
US-11198685-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R OPRK1 158/4885PLAU 207/4885MAPT 730/4885
US-20020137939-A1 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl)-ethyl)-benzamide for example MC4R, MC5R, MC3R OPRK1 164/4885PLAU 3163/4885MAPT 3754/4885
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same UMPS, METTL3, UTS2R OPRK1 158/4885PLAU 207/4885MAPT 730/4885

“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.