SCHEMBL3058080

SCHEMBL3058080

C[C@@H](NC(=O)Cc1ccc(I)cc1)c1ccc(NCC(F)(F)F)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 5/20 0.55
CACNA1G O43497 3/20 0.55
CACNA1H O95180 3/20 0.55
KCNH2 Q12809 2/20 0.55
CNR2 P34972 1/20 0.55
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
SLC22A12 Q96S37 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACACB O00763 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RORC P51449 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR139 Q6DWJ6 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
SCHEMBL3064509 0.90 CACNA1I (0.56) CACNA1ICACNA1GCACNA1HKCNH2CNR2
SCHEMBL1062015 0.89 CACNA1I (0.69) CACNA1ICACNA1GCACNA1HKCNH2CNR2
SCHEMBL1057087 0.86 CACNA1I (0.71) CACNA1ICACNA1GCACNA1HKCNH2CNR2
SCHEMBL1060490 0.82 CACNA1I (0.80) CACNA1ICACNA1GCACNA1HKCNH2CNR2
SCHEMBL2908420 0.81 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HKCNH2CNR2
SCHEMBL2908538 0.79 CACNA1I (0.53) CACNA1ICACNA1GCACNA1HKCNH2CNR2
SCHEMBL3042966 0.76 CACNA1I (0.49) CACNA1ICACNA1GCACNA1HKCNH2CNR2
SCHEMBL1064489 0.72 CACNA1I (0.73) CACNA1ICACNA1GCACNA1HKCNH2CNR2
SCHEMBL1060457 0.72 CACNA1I (0.82) CACNA1ICACNA1GCACNA1HKCNH2CNR2
SCHEMBL1062188 0.71 CACNA1I (0.80) CACNA1ICACNA1GCACNA1HKCNH2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212291-B1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-04 EP disclosed
US-8637513-B2 Heterocycle phenyl amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-20100261724-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-14 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-20100261724-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS CACNA1G, CACNA1H, CACNA1I CACNA1I 3/4885CACNA1G 1/4885CACNA1H 2/4885

“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.