SCHEMBL66730

SCHEMBL66730

CC(C)C[C@H](N)C(=O)N(C(=O)NC(C)(C)C)[C@@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 0.56
KCNH2 Q12809 2/20 0.49
ACKR3 P25106 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
S1PR1 P21453 2/20 0.38
S1PR5 Q9H228 2/20 0.38
GRK5 P34947 1/20 0.38
CDK8 P49336 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL16497991 1.00 CACNA1B (0.56) CACNA1BKCNH2ACKR3SIGMAR1S1PR1
SCHEMBL16497800 0.90 CACNA1B (0.57) CACNA1BKCNH2SIGMAR1S1PR1S1PR5
SCHEMBL66096 0.90 CACNA1B (0.57) CACNA1BKCNH2SIGMAR1S1PR1S1PR5
SCHEMBL66436 0.89 CACNA1B (0.57) CACNA1BKCNH2ACKR3SIGMAR1UBE2M
SCHEMBL16497897 0.89 CACNA1B (0.57) CACNA1BKCNH2ACKR3SIGMAR1UBE2M
SCHEMBL16497976 0.89 CACNA1B (0.59) CACNA1BKCNH2SIGMAR1S1PR1S1PR5
SCHEMBL66671 0.89 CACNA1B (0.59) CACNA1BKCNH2SIGMAR1S1PR1S1PR5
SCHEMBL66450 0.89 CACNA1B (0.59) CACNA1BKCNH2SIGMAR1S1PR1S1PR5
SCHEMBL64772 0.89 CACNA1B (0.59) CACNA1BKCNH2SIGMAR1S1PR1S1PR5
SCHEMBL66760 0.89 CACNA1B (0.59) CACNA1BKCNH2SIGMAR1S1PR1S1PR5

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 24/4885ACKR3 2732/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885ACKR3 2732/4885

“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.