SCHEMBL4486194

SCHEMBL4486194

O=C1OC2(CCN(C(O)=S)CC2)CN1Cc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.39
GRM2 Q14416 2/20 0.39
MMP13 P45452 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
HDAC1 Q13547 1/20 0.38
OPRL1 P41146 2/20 0.38
PKM P14618 1/20 0.38
HSD11B1 P28845 1/20 0.37

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) TACR2TACR1KMT2AFAAHGRM2
SCHEMBL4486191 0.87 MMP13 (0.40) TACR2TACR1KMT2AFAAHGRM2
SCHEMBL1086782 0.83 TACR2 (0.42) TACR2TACR1GRM2
SCHEMBL1086672 0.83 KDM4E (0.44) TACR2TACR1KMT2AFAAHMMP13
SCHEMBL1086488 0.83 KDM4E (0.42) TACR2TACR1KMT2AFAAHSIGMAR1
SCHEMBL1086846 0.82 TSHR (0.43) TACR2TACR1FAAHGRM2SIGMAR1
SCHEMBL1086756 0.82 CCR3 (0.42) TACR2TACR1GRM2MMP13HDAC1
SCHEMBL1086247 0.82 GPR119 (0.45) TACR1HDAC1
SCHEMBL1086489 0.80 ALDH1A1 (0.46) KMT2AHDAC1
SCHEMBL1086354 0.80 SIRT2 (0.42) TACR2TACR1FAAHGRM2SIGMAR1

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 TACR2 1923/4885TACR1 1796/4885KMT2A 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.