SCHEMBL1337352

SCHEMBL1337352

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
CACNA1B Q00975 2/20 0.40
NPY5R Q15761 1/20 0.40
HTR7 P34969 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
DRD2 P14416 3/20 0.36
DRD3 P35462 2/20 0.35
CHRM4 P08173 5/20 0.35
HTT P42858 1/20 0.35
USP30 Q70CQ3 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
EPHX1 P07099 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
GPR88 Q9GZN0 1/20 0.34

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
SCHEMBL1336400 0.89 CACNA1B (0.39) CACNA1BHTR7TMEM97CHRM2GPR88
SCHEMBL1334985 0.87 CACNA1B (0.42) NOTUMCACNA1BNPY5RHTR7
SCHEMBL1337035 0.86 CACNA1B (0.43) CACNA1BNPY5RCHRM1ADAMTS5GPR88
SCHEMBL1337133 0.85 CACNA1B (0.41) CACNA1BNPY5RHTR7TMEM97
SCHEMBL1336608 0.85 CACNA1B (0.43) NOTUMCACNA1B
SCHEMBL1337573 0.83 GRM1 (0.40) CACNA1BHTR7TMEM97DRD2DRD3
SCHEMBL1336005 0.80 CACNA1B (0.40) NOTUMCACNA1BNPY5R
SCHEMBL1335839 0.80 CACNA1B (0.42) NOTUMCACNA1BNPY5R
SCHEMBL1336566 0.79 CACNA1B (0.39) CACNA1BNPY5RCHRM2CHRM1
SCHEMBL1334959 0.79 NPY5R (0.39) CACNA1BNPY5RTMEM97ADAMTS5

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 NOTUM 3350/4885CACNA1B 5/4885NPY5R 314/4885

“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.