SCHEMBL2425444

SCHEMBL2425444

O=C(N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)[C@@H]1CCCCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
CACNA1B Q00975 2/20 0.47
CCR4 P51679 2/20 0.42
DPP7 Q9UHL4 1/20 0.41
FKBP1A P62942 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
SCN9A Q15858 2/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL16498153 0.91 KCNH2 (0.43) KCNH2CACNA1BDRD2DRD4KMT2A
SCHEMBL1337347 0.91 KCNH2 (0.43) KCNH2CACNA1BDRD2DRD4KMT2A
SCHEMBL16497791 0.89 CACNA1B (0.51) KCNH2CACNA1BKDM4ESCN9ADRD2
SCHEMBL16497805 0.89 CACNA1B (0.51) KCNH2CACNA1BKDM4ESCN9ADRD2
SCHEMBL1334977 0.89 CACNA1B (0.51) KCNH2CACNA1BKDM4ESCN9ADRD2
SCHEMBL66703 0.87 NPC1 (0.45) KCNH2CACNA1BKDM4EMAPK1KMT2A
SCHEMBL66688 0.85 CCR4 (0.49) KCNH2CACNA1BCCR4FKBP1AKMT2A
SCHEMBL16497959 0.83 KCNH2 (0.53) KCNH2CACNA1BKDM4EKMT2A
SCHEMBL67908 0.83 KCNH2 (0.53) KCNH2CACNA1BKDM4EKMT2A
SCHEMBL16497937 0.83 KCNH2 (0.53) KCNH2CACNA1BKDM4EKMT2A

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 4 patents. 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
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
EP-2367790-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-09-28 EP disclosed
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S KCNH2 24/4885CACNA1B 5/4885CCR4 3266/4885

“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.