SCHEMBL66625

SCHEMBL66625

C[C@H](C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.51
KCNH2 Q12809 2/20 0.49
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GLI1 P08151 1/20 0.45
GLI2 P10070 1/20 0.45
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
CYP3A4 P08684 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL66373 1.00 CACNA1B (0.51) CACNA1BKCNH2MAPTALDH1A1LMNA
SCHEMBL66372 1.00 CACNA1B (0.51) CACNA1BKCNH2MAPTALDH1A1LMNA
SCHEMBL68519 0.89 CACNA1B (0.54) CACNA1BKCNH2ALDH1A1
SCHEMBL2420893 0.89 CACNA1B (0.54) CACNA1BKCNH2ALDH1A1
SCHEMBL66773 0.89 CACNA1B (0.54) CACNA1BKCNH2ALDH1A1
SCHEMBL66863 0.89 CACNA1B (0.54) CACNA1BKCNH2ALDH1A1
SCHEMBL66390 0.82 CACNA1B (0.51) CACNA1BKCNH2MAPTSMN1; SMN2CXCR1
SCHEMBL66288 0.82 CACNA1B (0.51) CACNA1BKCNH2MAPTSMN1; SMN2CXCR1
SCHEMBL2842532 0.81 CACNA1B (0.52) CACNA1BKCNH2ALDH1A1MEN1KMT2A
SCHEMBL2842533 0.81 CACNA1B (0.52) CACNA1BKCNH2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US claimed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US claimed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 US claimed
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 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 (2 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 5/4885KCNH2 24/4885MAPT 1184/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885MAPT 1184/4885

“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.