SCHEMBL66695

SCHEMBL66695

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GRIN2B Q13224 2/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.40
TSHR P16473 1/20 0.40
PTPN1 P18031 1/20 0.39
DRD2 P14416 1/20 0.39
FUCA1 P04066 2/20 0.39
ACHE P22303 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL4609843 1.00 RECQL (0.44) RECQLSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL66696 1.00 RECQL (0.44) RECQLSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL16497835 1.00 RECQL (0.44) RECQLSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL26709646 0.84 RECQL (0.48) RECQLSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4193483 0.84 RECQL (0.48) RECQLSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10522832 0.83 PTPN1 (0.48) RECQLSMN1; SMN2MEN1KMT2ACYP2D6
SCHEMBL13379049 0.83 PTPN1 (0.48) RECQLSMN1; SMN2MEN1KMT2ACYP2D6
SCHEMBL3833437 0.83 PTPN1 (0.48) RECQLSMN1; SMN2MEN1KMT2ACYP2D6
SCHEMBL5745374 0.79 PTPN1 (0.45) RECQLSMN1; SMN2MEN1KMT2ACYP2D6
SCHEMBL15866138 0.79 PTPN1 (0.45) RECQLSMN1; SMN2MEN1KMT2ACYP2D6

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 3 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-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 RECQL 2102/4885SMN1; SMN2 1139/4885ALDH1A1 556/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S RECQL 2102/4885SMN1; SMN2 1139/4885ALDH1A1 556/4885

“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.