SCHEMBL1336005

SCHEMBL1336005

CC(C)C[C@@H](C(N)=O)N(C)[C@H]1CC[C@@H]2CN(c3ccc(Cl)cc3)C[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
NOTUM Q6P988 1/20 0.34
NPY5R Q15761 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MCHR1 Q99705 1/20 0.33
ACACB O00763 1/20 0.33
WDR91 A4D1P6 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MC4R P32245 2/20 0.33

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
SCHEMBL1335839 0.90 CACNA1B (0.42) CACNA1BSMN1; SMN2NOTUMNPY5R
SCHEMBL1334985 0.89 CACNA1B (0.42) CACNA1BKMT2AHRH3NOTUMNPY5R
SCHEMBL1334959 0.89 NPY5R (0.39) CACNA1BNPY5RPSEN1PSEN2APH1B
SCHEMBL1336485 0.88 CACNA1B (0.43) CACNA1BSMN1; SMN2MEN1KMT2AACACB
SCHEMBL16497723 0.87 CACNA1B (0.55) CACNA1BNOTUM
SCHEMBL1336400 0.87 CACNA1B (0.39) CACNA1BHRH3
SCHEMBL1336566 0.87 CACNA1B (0.39) CACNA1BNPY5RACACB
SCHEMBL1335234 0.84 NOTUM (0.37) CACNA1BSMN1; SMN2NOTUMMC4R
SCHEMBL67542 0.84 CACNA1B (0.43) CACNA1BMEN1KMT2APSEN1PSEN2
SCHEMBL1336608 0.84 CACNA1B (0.43) CACNA1BNOTUMACACB

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 5/4885SMN1; SMN2 1139/4885MEN1 1286/4885

“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.