Sugi Predict

Sugi Predict / Compounds / SCHEMBL1586529

SCHEMBL1586529

SCHEMBL1586529

NC1CCN(CC2CCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 2/20 0.67
▸ ADRA2C P18825 1/20 0.67
▸ ACHE P22303 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ OPRM1 P35372 6/20 0.44
▸ OPRL1 P41146 6/20 0.44
▸ OPRK1 P41145 4/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CASP1 P29466 1/20 0.40
▸ CASP4 P49662 1/20 0.40
▸ CASP5 P51878 1/20 0.40

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
SCHEMBL6589869 1.00 CHRM5 (0.67) CHRM5ADRA2CACHESMN1; SMN2OPRM1
SCHEMBL11545422 1.00 CHRM5 (0.67) CHRM5ADRA2CACHESMN1; SMN2OPRM1
Hydrochloric Acid SCHEMBL1604164 0.98 CHRM5 (0.64) CHRM5ADRA2CACHESMN1; SMN2OPRM1
Hydrochloric Acid SCHEMBL6590070 0.98 CHRM5 (0.64) CHRM5ADRA2CACHESMN1; SMN2OPRM1
Hydrochloric Acid SCHEMBL2674614 0.98 CHRM5 (0.64) CHRM5ADRA2CACHESMN1; SMN2OPRM1
Hydrochloric Acid SCHEMBL8191714 0.98 CHRM5 (0.64) CHRM5ADRA2CACHESMN1; SMN2OPRM1
SCHEMBL11544296 0.98 CHRM5 (0.62) CHRM5ADRA2CACHESMN1; SMN2OPRM1
SCHEMBL11546506 0.93 CHRM5 (0.56) CHRM5ADRA2CACHESMN1; SMN2OPRM1
SCHEMBL8100117 0.88 CHRM5 (0.48) CHRM5ADRA2CACHESMN1; SMN2
SCHEMBL2673448 0.88 CHRM5 (0.48) CHRM5ADRA2CACHESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP claimed
US-11312669-B2 Oligomerization of olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-04-26 — — US disclosed
CN-107567445-B 2-phenyl-3H-imidazo [4,5-B ] pyridine derivatives useful as inhibitors of mammalian tyrosine kinase ROR1 activity 坎塞拉有限公司 2021-06-29 — — CN disclosed
EP-3253754-B1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2021-03-31 — — EP disclosed
US-10550113-B2 2-phenyl-3H-imidazo[4,5-B]pyridine derivates useful as inhibitors of mammalian tyrosine kinase ROR1 activity KANCERA AB (SE) 2020-02-04 — — US disclosed
US-20180002329-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2018-01-04 — — US disclosed
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 — — US disclosed
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 — — US disclosed
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 — — US disclosed
WO-2016124553-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2016-08-11 — — WO disclosed
US-20040204369-A1 Novel amide derivatives MSD K.K. (JP) 2004-10-14 — — US disclosed
EP-1213281-B1 NOVEL AMIDE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-02-18 — — EP disclosed
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 — — US disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 — — EP disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 — — US disclosed
US-6479487-B1 INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS AVENTIS PHARMACEUTICALS INC. 2002-11-12 — — US disclosed
EP-1213281-A1 NOVEL AMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 — — EP disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 — — EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 — — WO disclosed
US-4163789-A Anti-psychotic (cycloalkenylalkylpiperidino) benzamides ANPHAR, S.A. (ES) 1979-08-07 — — 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-20040204369-A1 Novel amide derivatives CHRM3, CHRM1, CHRM2 CHRM5 4/4885ADRA2C 42/4885ACHE 1363/4885
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 CHRM5 4335/4885ADRA2C 3687/4885ACHE 3357/4885
US-10550113-B2 2-phenyl-3H-imidazo[4,5-B]pyridine derivates useful as inhibitors of mammalian tyrosine kinase ROR1 activity ROR1, RORB, RORA CHRM5 4392/4885ADRA2C 1336/4885ACHE 4575/4885
US-20180002329-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY ROR1, RORB, RORA CHRM5 4392/4885ADRA2C 1336/4885ACHE 4575/4885

“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.