SCHEMBL427068

SCHEMBL427068

Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.52
GPR119 Q8TDV5 10/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
P2RX3 P56373 2/20 0.45
P2RX2 Q9UBL9 2/20 0.45
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL450221 0.88 STS (0.52) STSGPR119PDE4APDE4BPDE4C
SCHEMBL30272599 0.87 STS (0.51) STSGPR119P2RX3P2RX2PDE4A
SCHEMBL21722812 0.87 STS (0.51) STSGPR119P2RX3P2RX2PDE4A
SCHEMBL9894017 0.85 STS (0.49) STSGPR119P2RX3P2RX2PDE4A
SCHEMBL6121545 0.84 STS (0.53) STSGPR119MEN1KMT2AP2RX3
SCHEMBL18927006 0.84 MEN1 (0.53) STSGPR119MEN1KMT2ANPBWR1
SCHEMBL6036543 0.84 EPHX2 (0.57) STSGPR119MEN1KMT2AHRH3
SCHEMBL6122434 0.84 GPR119 (0.48) STSGPR119PDE4APDE4BPDE4C
SCHEMBL447218 0.84 GPR119 (0.48) STSGPR119P2RX3P2RX2PDE4A
SCHEMBL5538341 0.83 GPR119 (0.63) STSGPR119

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-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO STS 1000/4885GPR119 205/4885MEN1 1584/4885

“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.