SCHEMBL1336010

SCHEMBL1336010

CNC(=O)[C@@H](N[C@H]1CC[C@@H]2CN(c3cccc(C(F)(F)F)c3)C[C@@H]21)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.65
HSD17B10 Q99714 1/20 0.47
KCNH2 Q12809 2/20 0.44
ACACB O00763 3/20 0.43
NOTUM Q6P988 1/20 0.43
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1337334 0.88 CACNA1B (0.63) CACNA1BNOTUM
SCHEMBL1336114 0.87 CACNA1B (0.53) CACNA1BACACBNOTUM
SCHEMBL1336007 0.87 CACNA1B (0.76) CACNA1BHSD17B10KCNH2ACACBNOTUM
SCHEMBL1337149 0.86 CACNA1B (0.78) CACNA1BKCNH2
SCHEMBL1337090 0.82 CACNA1B (0.62) CACNA1BNOTUM
SCHEMBL1336617 0.80 ACACB (0.46) CACNA1BACACB
SCHEMBL1337051 0.80 CACNA1B (0.47) CACNA1BACACBLMNASMN1; SMN2
SCHEMBL1337441 0.80 CACNA1B (0.65) CACNA1B
SCHEMBL1337148 0.79 CACNA1B (1.00) CACNA1BKCNH2
SCHEMBL16497755 0.79 CACNA1B (0.67) CACNA1BKCNH2ACACBNOTUMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US claimed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 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-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885HSD17B10 2971/4885KCNH2 24/4885

“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.