SCHEMBL8511797

SCHEMBL8511797

CC(C)NC(=O)c1ccc2c(c1)CCN2c1ccc(OC2CCN(C(=O)O)C(C(C)(C)C)C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
ACACB O00763 9/20 0.37
GPR119 Q8TDV5 3/20 0.37
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 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
SCHEMBL8533992 0.88 GPR119 (0.35) HRH3GPR119MKNK1MKNK2
SCHEMBL8514971 0.86 GPR119 (0.37) ACACBGPR119
SCHEMBL8512909 0.84 GPR119 (0.50) GPR119
SCHEMBL8511801 0.82 GPR119 (0.46) HRH3GPR119P2RX3P2RX2
SCHEMBL15253540 0.82 PLK1 (0.39) HRH3ACACBLMNAMAPTKMT2A
SCHEMBL15253249 0.74 SCN9A (0.38) MAPT
SCHEMBL15253267 0.73 HPGDS (0.43) HRH3MAPTALDH1A1
SCHEMBL8530303 0.72 LPL (0.47) ACACBGPR119KMT2A
SCHEMBL15253284 0.72 PLK1 (0.40) ACACBGPR119MAPT
SCHEMBL8514766 0.72 GPR119 (0.44) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP claimed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US claimed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO claimed

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 HRH3 479/4885ACACB 882/4885GPR119 1/4885

“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.