SCHEMBL4486191

SCHEMBL4486191

O=C(S)N1CCC2(CC1)CN(Cc1ccc3ccccc3c1)C(=O)O2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.40
HDAC1 Q13547 1/20 0.40
FAAH O00519 1/20 0.39
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
GRM2 Q14416 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
NAAA Q02083 1/20 0.38
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 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
SCHEMBL1086470 0.90 FAAH (0.42) MMP13HDAC1FAAHTACR2TACR1
SCHEMBL4486194 0.87 TACR2 (0.41) MMP13HDAC1FAAHTACR2TACR1
SCHEMBL1086247 0.84 GPR119 (0.45) HDAC1TACR1
SCHEMBL1086756 0.84 CCR3 (0.42) MMP13HDAC1TACR2TACR1GRM2
SCHEMBL1086781 0.83 TACR2 (0.40) TACR2TACR1GRM2
SCHEMBL1086487 0.83 SIRT2 (0.42) FAAHTACR2TACR1KMT2A
SCHEMBL1086489 0.82 ALDH1A1 (0.46) HDAC1KMT2A
SCHEMBL1086845 0.82 TSHR (0.46) TACR2TACR1GRM2
SCHEMBL4259054 0.81 MEN1 (0.42) MMP13HDAC1TACR2TACR1GRM2
SCHEMBL1086140 0.80 ALDH1A1 (0.51) SIGMAR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MMP13 1667/4885HDAC1 955/4885FAAH 2616/4885

“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.