Sugi Predict

Sugi Predict / Compounds / SCHEMBL1078091

SCHEMBL1078091

SCHEMBL1078091

Cc1ccc([CH]Cc2cccc(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 2/20 0.44
▸ TAAR1 Q96RJ0 3/20 0.42
▸ HTR3E A5X5Y0 2/20 0.42
▸ HTR3B O95264 2/20 0.42
▸ HTR3A P46098 2/20 0.42
▸ HTR3D Q70Z44 2/20 0.42
▸ HTR3C Q8WXA8 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RGS4 P49798 1/20 0.41
▸ RGS8 P57771 1/20 0.41
▸ IDO1 P14902 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ AGXT P21549 2/20 0.41
▸ AOC3 Q16853 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 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
SCHEMBL27927705 0.87 PNMT (0.48) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL51754 0.84 TAAR1 (0.46) TAAR1TP53IDO1KDM4E
SCHEMBL27652264 0.84 GRIN2B (0.49) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL6031658 0.82 CHRM5 (0.53) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL1987774 0.77 MAOB (0.46) POLBMAPTSMN1; SMN2CYP3A4KDM4E
SCHEMBL5056468 0.75 CYP2A6 (0.50) TAAR1TP53POLBMAPTSMN1; SMN2
SCHEMBL27629847 0.75 PNMT (0.43) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL23071683 0.74 TAAR1 (0.57) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL22040237 0.74 TAAR1 (0.52) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL3084924 0.74 PNMT (0.54) PNMTTAAR1HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202345-B2 Substituted azaspiro(4.5)decane derivatives GRUENENTHAL GMBH (DE) 2019-02-12 — — US disclosed
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 — — EP disclosed
EP-3169665-B1 SUBSTITUTED AZA-SPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-05-09 — — EP disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 — — US disclosed
EP-3169666-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 — — EP disclosed
EP-3169665-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 — — EP disclosed
US-9580386-B2 Substituted 4-aminocyclohexane derivatives GRÜNENTHAL (DE) 2017-02-28 — — US disclosed
EP-2260022-B1 SUBSTITUTED CYCLOHEXYLDIAMINES GRUENENTHAL GMBH (DE) 2017-01-04 — — EP disclosed
US-9403767-B2 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2016-08-02 — — US disclosed
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 — — US disclosed
WO-2009118163-A1 (HETERO-)ARYL CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 — — WO disclosed
WO-2009118171-A1 HYDROXYMETHYLCYCLOHEXYL AMINES Grünenthal GmbH (DE) 2009-10-01 — — WO disclosed
WO-2009118173-A1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 — — WO disclosed
WO-2009118169-A1 SPIRO(5.5)UNDECANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 — — WO disclosed
WO-2009118174-A1 SUBSTITUTED CYCLOHEXYLDIAMINES Grünenthal GmbH (DE) 2009-10-01 — — WO disclosed
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 — — US disclosed
US-20090247561-A1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 — — US disclosed
US-20090247573-A1 (HETERO)ARYL CYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 — — US disclosed
US-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 — — US disclosed
US-20090247591-A1 SUBSTITUTED CYCLOHEXYLDIAMINES GRUNENTHAL GMBH (DE) 2009-10-01 — — 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 (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-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 PNMT 689/4885TAAR1 116/4885HTR3E 193/4885
US-20090247573-A1 (HETERO)ARYL CYCLOHEXANE DERIVATIVES OPRL1, OPRM1, OPRD1 PNMT 1088/4885TAAR1 85/4885HTR3E 105/4885
US-10202345-B2 Substituted azaspiro(4.5)decane derivatives OPRL1, OPRD1, OPRM1 PNMT 2263/4885TAAR1 184/4885HTR3E 1354/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 PNMT 2083/4885TAAR1 169/4885HTR3E 1298/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 PNMT 2263/4885TAAR1 184/4885HTR3E 1354/4885
US-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES OPRL1, OPRD1, OPRM1 PNMT 1821/4885TAAR1 216/4885HTR3E 151/4885
US-20090247591-A1 SUBSTITUTED CYCLOHEXYLDIAMINES OPRL1, OPRD1, OPRK1 PNMT 191/4885TAAR1 61/4885HTR3E 143/4885
US-20090247561-A1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 PNMT 1943/4885TAAR1 116/4885HTR3E 395/4885

“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.