SCHEMBL3205181

SCHEMBL3205181

COC[C@@H]1CN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CCN1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
RORC P51449 2/20 0.38
DHODH Q02127 1/20 0.38
MAPK8 P45983 2/20 0.38
MAPK10 P53779 2/20 0.38
CCR3 P51677 6/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RY1 P47900 1/20 0.36
GPR6 P46095 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
PDCD1 Q15116 1/20 0.35

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
SCHEMBL3198421 0.94 RORC (0.40) FPR1FPR2NPC1RAB9ASMN1; SMN2
SCHEMBL3200015 0.94 RORC (0.40) FPR1FPR2NPC1RAB9ASMN1; SMN2
SCHEMBL3200383 0.93 NPC1 (0.38) FPR1FPR2NPC1RAB9ASMN1; SMN2
SCHEMBL14837457 0.92 NPC1 (0.40) FPR1FPR2NPC1RAB9ASMN1; SMN2
SCHEMBL3210100 0.92 SIRT2 (0.40) FPR1FPR2NPC1RAB9ASMN1; SMN2
SCHEMBL3214394 0.88 RORC (0.47) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL3209497 0.88 RORC (0.47) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL3203583 0.88 NPC1 (0.38) FPR1FPR2NPC1RAB9ASMN1; SMN2
SCHEMBL3210104 0.87 NPC1 (0.39) FPR1FPR2NPC1RAB9ASMN1; SMN2
SCHEMBL3196777 0.86 RORC (0.41) FPR1FPR2NPC1RAB9ASMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US claimed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO claimed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 US disclosed
EP-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 EP disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 US disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 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 (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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 FPR1 3805/4885FPR2 3606/4885NPC1 4691/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 FPR1 3805/4885FPR2 3606/4885NPC1 4691/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 FPR1 3805/4885FPR2 3606/4885NPC1 4691/4885

“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.