SCHEMBL3198451

SCHEMBL3198451

C[C@@H]1CN(Cc2cccc(NC(=O)Nc3cccnc3)c2F)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 10/20 0.43
CACNA1H O95180 10/20 0.43
CACNA1I Q9P0X4 10/20 0.43
RORC P51449 1/20 0.43
DHODH Q02127 1/20 0.43
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
AHR P35869 1/20 0.41
HTT P42858 1/20 0.41
CCR3 P51677 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL3208737 0.89 RORC (0.47) RORCDHODHCCR3
SCHEMBL3214027 0.89 RORC (0.47) RORCDHODHCCR3
SCHEMBL3200068 0.89 RORC (0.47) RORCDHODHCCR3
SCHEMBL544824 0.88 CACNA1G (0.49) CACNA1GCACNA1HCACNA1ITAAR1AHR
SCHEMBL4301768 0.85 P2RY1 (0.41) RORCDHODHCCR3
SCHEMBL3189481 0.84 RORC (0.41) RORCDHODHCCR3
SCHEMBL3187925 0.84 RORC (0.41) RORCDHODHCCR3
SCHEMBL5136854 0.84 RORC (0.46) CACNA1GCACNA1HCACNA1IRORCDHODH
SCHEMBL403416 0.84 CACNA1G (0.48) CACNA1GCACNA1HCACNA1ITAAR1AHR
SCHEMBL403417 0.84 CACNA1G (0.48) CACNA1GCACNA1HCACNA1ITAAR1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US 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
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 CACNA1G 1097/4885CACNA1H 1700/4885CACNA1I 1709/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 CACNA1G 1097/4885CACNA1H 1700/4885CACNA1I 1709/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 CACNA1G 1097/4885CACNA1H 1700/4885CACNA1I 1709/4885

“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.