Sugi Predict

Sugi Predict / Compounds / SCHEMBL3101767

SCHEMBL3101767

SCHEMBL3101767

C[C@@H](NC(=O)Cc1ccc2c(C3=CCCCC3)c[nH]c2c1)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 4/20 0.56
▸ CACNA1G O43497 2/20 0.56
▸ CACNA1H O95180 2/20 0.56
▸ CNR2 P34972 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ KMT2A Q03164 1/20 0.36
▸ DYRK1A Q13627 2/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ IDH1 O75874 2/20 0.34
▸ ACACB O00763 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ CSF1R P07333 3/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ CCNT1 O60563 2/20 0.31
▸ CCNK O75909 2/20 0.31
▸ CDK9 P50750 2/20 0.31
▸ CDK12 Q9NYV4 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CCNE1 P24864 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
SCHEMBL3108545 0.85 CACNA1I (0.60) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3095548 0.84 CACNA1I (0.65) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3102313 0.83 CACNA1I (0.64) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3099386 0.83 CACNA1I (0.66) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3090917 0.83 CACNA1I (0.64) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3105419 0.83 CACNA1I (0.64) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3098775 0.82 CACNA1I (0.68) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3097034 0.81 CACNA1I (0.63) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3089301 0.81 CACNA1I (0.61) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3097144 0.79 CACNA1I (0.67) CACNA1ICACNA1GCACNA1HCNR2KCNH2

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-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 — — US claimed
EP-2212293-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-08-04 — — EP claimed
WO-2009054983-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2009-04-30 — — WO claimed
US-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 — — US disclosed
US-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 — — US disclosed
US-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 — — US disclosed
WO-2009054983-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2009-04-30 — — 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 (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-20100249176-A1 HETEROCYCLE 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.