SCHEMBL66120

SCHEMBL66120

CCC(C(=O)N(C)[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR5 P51681 1/20 0.39
TACR1 P25103 2/20 0.39
DRD4 P21917 1/20 0.39
GRIN2B Q13224 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 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
SCHEMBL2841905 0.80 MEN1 (0.47) CCR5GRIN2B
SCHEMBL65164 0.80 MEN1 (0.47) CCR5GRIN2B
SCHEMBL2841902 0.80 MEN1 (0.47) CCR5GRIN2B
SCHEMBL66119 0.75 CACNA1B (0.47) TACR1DRD4UBE2MDCUN1D1
SCHEMBL65811 0.73 CACNA1B (0.50) ALDH1A1
SCHEMBL16497726 0.73 CACNA1B (0.50) ALDH1A1
SCHEMBL67795 0.73 CACNA1B (0.50) ALDH1A1
SCHEMBL65523 0.73 CACNA1B (0.50) ALDH1A1
SCHEMBL66066 0.73 CYP2D6 (0.38) GRIN2BKDM4E
SCHEMBL66099 0.73 CYP2D6 (0.38) GRIN2BKDM4E

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-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 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 (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 HTT 1928/4885PKM 1072/4885SMN1; SMN2 1139/4885

“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.