SCHEMBL210781

SCHEMBL210781

CC(=O)N(NCc1cccc(F)c1Cl)[C@H](CON(C=O)c1nc2ccc(C)cc2s1)C[C@@H](O)CO

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CSNK1D P48730 2/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NLRP1 Q9C000 1/20 0.32
MAPT P10636 5/20 0.32
TP53 P04637 2/20 0.32
MAOB P27338 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP4 P27487 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL212479 0.94 CSNK1D (0.34) TRPV1CSNK1DMAOBSMN1; SMN2
SCHEMBL211476 0.94 CSNK1D (0.34) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL210863 0.92 TRPV1 (0.33) TRPV1
SCHEMBL210313 0.92
SCHEMBL213610 0.82 MAOB (0.40) MEN1KMT2ACSNK1DPOLBNPSR1
SCHEMBL4350823 0.81 CSNK1D (0.39) MEN1KMT2ACSNK1DPOLBNPSR1
SCHEMBL212298 0.80 P2RX4 (0.33)
SCHEMBL213792 0.80 P2RX4 (0.33)
SCHEMBL210261 0.80 P2RX4 (0.33)
SCHEMBL210329 0.80 P2RX4 (0.33)

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-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 TRPV1 2677/4885NPC1 4684/4885RAB9A 2065/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TRPV1 2677/4885NPC1 4684/4885RAB9A 2065/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TRPV1 2677/4885NPC1 4684/4885RAB9A 2065/4885

“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.