SCHEMBL2840371

SCHEMBL2840371

CCC[C@H](NC(=O)O)C(=O)N[C@H]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 14/20 0.53
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
ACACB O00763 2/20 0.43
HSD11B1 P28845 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3237975 1.00 CACNA1B (0.53) CACNA1BHCRTR1HCRTR2ACACBHSD11B1
SCHEMBL2843378 0.92 CACNA1B (0.54) CACNA1BHCRTR1HCRTR2ACACBHSD11B1
SCHEMBL3249607 0.92 CACNA1B (0.54) CACNA1BHCRTR1HCRTR2ACACBHSD11B1
SCHEMBL1335745 0.91 CACNA1B (0.64) CACNA1BHCRTR1HCRTR2ACACB
SCHEMBL2417232 0.88 CACNA1B (0.50) CACNA1BHCRTR1HCRTR2ACACBHSD11B1
SCHEMBL67592 0.88 CACNA1B (0.50) CACNA1BHCRTR1HCRTR2ACACBHSD11B1
SCHEMBL1335800 0.86 CACNA1B (0.65) CACNA1BHCRTR1HCRTR2ACACB
SCHEMBL1335746 0.84 CACNA1B (0.51) CACNA1BHCRTR1HCRTR2ACACBHPGD
SCHEMBL2418879 0.84 HCRTR1 (0.50) CACNA1BHCRTR1HCRTR2ACACBHSD11B1
SCHEMBL66163 0.84 CACNA1B (0.49) CACNA1BHCRTR1HCRTR2ACACBHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 US claimed

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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885HCRTR1 268/4885HCRTR2 271/4885

“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.