SCHEMBL8536867

SCHEMBL8536867

CC(C)(C)C1CC(Oc2ccc(Br)cc2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CHRNA7 P36544 1/20 0.37
EPHX2 P34913 4/20 0.37
SRD5A1 P18405 1/20 0.36
POLB P06746 1/20 0.36
SRD5A2 P31213 1/20 0.36
CHRM3 P20309 4/20 0.35
CHRM2 P08172 3/20 0.35
GPR119 Q8TDV5 2/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4101596 0.84 GPR119 (0.53) EPHX2GPR119
SCHEMBL4111964 0.83 APP (0.42) SRD5A1
SCHEMBL4111969 0.82 EPHX2 (0.49) EPHX2
SCHEMBL8511076 0.82 DGAT1 (0.45) GPR119
SCHEMBL4718944 0.82 HRH1 (0.47)
SCHEMBL8530303 0.81 LPL (0.47) CHRNA7GPR119
SCHEMBL74339 0.81 MMP13 (0.44) EPHX2
SCHEMBL4632460 0.81 MAPT (0.36) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28053867 0.80 OPRK1 (0.41) EPHX2POLBCHRM3CHRM2
SCHEMBL75038 0.79 ACACB (0.50) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US disclosed
EP-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO 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-20130245000-A1 BICYCLIC GPR119 MODULATORS GPR119, GPR180, GPBAR1 CCR5 416/4885ALDH1A1 1436/4885CHRNA7 497/4885

“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.