Sugi Predict

Sugi Predict / Compounds / SCHEMBL2437697

SCHEMBL2437697

SCHEMBL2437697

Cn1cnc(Cc2ccccc2F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.43
▸ ADCY10 Q96PN6 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ PDE4A P27815 1/20 0.38

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
SCHEMBL1009261 0.75 TSHR (0.45) HTR6ALDH1A1MEN1KMT2A
SCHEMBL9485705 0.72 NPC1 (0.49) HTR6ALDH1A1NPC1RAB9ALMNA
SCHEMBL29018174 0.70 CYP2C9 (0.47) HTR6ADCY10ALDH1A1LMNAKDM4E
SCHEMBL28293472 0.70 HTR2C (0.45) HTR6ALDH1A1NPC1RAB9ALMNA
SCHEMBL3301625 0.69 TAAR1 (0.59) ALDH1A1LMNAKDM4ETAAR1
SCHEMBL30674432 0.67 NPC1 (0.46) ALDH1A1NPC1RAB9ALMNAHTT
SCHEMBL16695052 0.65 MEN1 (0.45) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2041524 0.64 — —
SCHEMBL2437687 0.63 ALDH1A1 (0.43) HTR6ADCY10ALDH1A1NPC1RAB9A
SCHEMBL27801550 0.63 EPHX2 (0.44) ALDH1A1NPC1RAB9AKDM4ETAAR1

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 30 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
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-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 — — WO disclosed
EP-2502907-A1 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2012-09-26 — — EP disclosed
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2012-08-09 — — US disclosed
EP-2257526-B1 SPIRO(5.5)UNDECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-12-14 — — EP disclosed
EP-2260042-B1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-09-21 — — EP disclosed
US-20110059999-A1 Hydroxymethylcyclohexylamines Grünenthal GmbH (DE) 2011-03-10 — — 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
US-20090247561-A1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 — — US disclosed
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 — — US disclosed
US-20090247573-A1 (HETERO)ARYL CYCLOHEXANE DERIVATIVES 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 (10 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 HTR6 267/4885ADCY10 1919/4885ALDH1A1 620/4885
US-20090247573-A1 (HETERO)ARYL CYCLOHEXANE DERIVATIVES OPRL1, OPRM1, OPRD1 HTR6 117/4885ADCY10 3292/4885ALDH1A1 509/4885
US-10202345-B2 Substituted azaspiro(4.5)decane derivatives OPRL1, OPRD1, OPRM1 HTR6 1285/4885ADCY10 3610/4885ALDH1A1 386/4885
US-20110059999-A1 Hydroxymethylcyclohexylamines OPRL1, OPRM1, OPRD1 HTR6 125/4885ADCY10 3248/4885ALDH1A1 610/4885
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 HTR6 267/4885ADCY10 1919/4885ALDH1A1 620/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 HTR6 1243/4885ADCY10 3582/4885ALDH1A1 359/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 HTR6 1285/4885ADCY10 3610/4885ALDH1A1 386/4885
US-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES OPRL1, OPRD1, OPRM1 HTR6 425/4885ADCY10 3257/4885ALDH1A1 258/4885
US-20090247591-A1 SUBSTITUTED CYCLOHEXYLDIAMINES OPRL1, OPRD1, OPRK1 HTR6 135/4885ADCY10 1950/4885ALDH1A1 466/4885
US-20090247561-A1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 HTR6 281/4885ADCY10 1987/4885ALDH1A1 406/4885

“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.