SCHEMBL1086550

SCHEMBL1086550

Cc1cc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2)C(=O)O3)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 3/20 0.45
RIPK1 Q13546 1/20 0.44
CYP2C9 P11712 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
CYP3A4 P08684 1/20 0.43
TACR2 P21452 1/20 0.43
TACR1 P25103 1/20 0.43
NPC1 O15118 1/20 0.42
EPHX2 P34913 1/20 0.42
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 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
SCHEMBL1086537 0.89 KMT2A (0.50) TSHRTHRBKMT2ARAB9AALDH1A1
SCHEMBL1086696 0.88 HIF1A (0.48) TSHRKMT2ARAB9AALDH1A1CYP2C9
SCHEMBL1087064 0.87 KMT2A (0.43) TSHRTHRBKMT2ARAB9AALDH1A1
SCHEMBL1086710 0.87 RAB9A (0.46) TSHRTHRBKMT2ARAB9AALDH1A1
SCHEMBL1086421 0.87 KMT2A (0.46) TSHRTHRBKMT2ARAB9AALDH1A1
SCHEMBL1086826 0.84 ALDH1A1 (0.49) TSHRTHRBKMT2ARAB9AALDH1A1
SCHEMBL1085998 0.81 CHRM2 (0.54) TSHRKMT2AALDH1A1RIPK1TACR2
SCHEMBL1085855 0.80 RIPK1 (0.49) KMT2AALDH1A1RIPK1CYP2C9CYP3A4
SCHEMBL1086435 0.78 RIPK1 (0.47) TSHRKMT2ARIPK1CYP3A4TACR2
SCHEMBL1086269 0.78 L3MBTL1 (0.45) TSHRALDH1A1CYP2C9CYP3A4EPHX2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US claimed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP claimed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US claimed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP disclosed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 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 (1 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-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs DDO, DAO, OTC TSHR 3698/4885THRB 4070/4885KMT2A 4267/4885

“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.