SCHEMBL4237706

SCHEMBL4237706

CC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.48
DHODH Q02127 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 1/20 0.44
MAPK8 P45983 5/20 0.43
MAPK10 P53779 5/20 0.43
CCR3 P51677 3/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTT P42858 2/20 0.41
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL3196716 0.95 NPC1 (0.53) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3196731 0.93 RORC (0.50) RORCDHODHNPC1RAB9ASMN1; SMN2
Omecamtiv Mecarbil SCHEMBL400544 0.92 RORC (0.47) RORCDHODHNPC1RAB9ASMN1; SMN2
Omecamtiv Mecarbil SCHEMBL29400097 0.92 RORC (0.47) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL5070131 0.92 RORC (0.47) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL4242343 0.92 RORC (0.47) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3189243 0.92 RORC (0.47) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3214918 0.92 RORC (0.49) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3198122 0.91 NPC1 (0.49) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL402588 0.91 ALDH1A1 (0.52) RORCDHODHNPC1RAB9ASMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 US claimed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US claimed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 WO claimed
US-20230373955-A1 SYNTHESIS OF OMECAMTIV MECARBIL AMGEN INC. 2023-11-23 US disclosed
US-11753394-B2 Synthesis of omecamtiv mecarbil AMGEN INC. (US) 2023-09-12 US disclosed
US-11702380-B2 Synthesis of omecamtiv mecarbil AMGEN INC. (US) 2023-07-18 US disclosed
EP-3594199-B1 CRYSTALLINE 2-FLUORO-3-NITROTOLUENE AND PROCESS FOR THE PREPARATION THEREOF FIS FABBRICA ITALIANA SINTETICI SPA (IT) 2020-07-01 EP disclosed
WO-2020011626-A1 CRYSTALLINE 2-FLUORO-3-NITROTOLUENE AND PROCESS FOR THE PREPARATION THEREOF F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2020-01-16 WO disclosed
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 US disclosed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 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 (5 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-11702380-B2 Synthesis of omecamtiv mecarbil SI, MTHFD2, DPYD RORC 2185/4885DHODH 18/4885NPC1 4461/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 RORC 2707/4885DHODH 3410/4885NPC1 4826/4885
US-20230373955-A1 SYNTHESIS OF OMECAMTIV MECARBIL DPYD, SI, MTHFD2 RORC 2556/4885DHODH 10/4885NPC1 4214/4885
US-11753394-B2 Synthesis of omecamtiv mecarbil SI, DPYD, MTHFD2 RORC 2157/4885DHODH 7/4885NPC1 4317/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 RORC 2707/4885DHODH 3410/4885NPC1 4826/4885

“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.