SCHEMBL66519

SCHEMBL66519

COCN(Cc1cccc(C(F)(F)F)c1)C[Si](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
IDO1 P14902 2/20 0.43
NR1D1 P20393 1/20 0.43
NR1H3 Q13133 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
HTR2C P28335 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
CETP P11597 3/20 0.40
MIF P14174 2/20 0.40
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ACP3 P15309 1/20 0.38
MAOB P27338 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL2422764 0.79 OPRM1 (0.48) MEN1KMT2AIDO1HTR2AHTR2B
SCHEMBL102928 0.78 TSHR (0.42) KDM4EMAPT
Ammonia Solution, Strong SCHEMBL4465336 0.76 TSHR (0.41) KDM4EMAPT
SCHEMBL15736705 0.75 IDO1 (0.51) MEN1KMT2AIDO1HTR2AHTR2B
SCHEMBL4244205 0.75 MEN1 (0.60) MEN1KMT2AIDO1HTR2AHTR2B
SCHEMBL15738828 0.72 IDO1 (0.51) MEN1KMT2AIDO1HTR2AHTR2B
SCHEMBL171782 0.71 IDO1 (0.68) IDO1HTR2AHTR2BHTR2CTAAR1
SCHEMBL4243270 0.71 HTR2A (0.56) MEN1KMT2AIDO1HTR2AHTR2B
SCHEMBL11231510 0.70 MEN1 (0.58) MEN1KMT2AIDO1NR1H3HTR2A
SCHEMBL15735511 0.70 TAAR1 (0.54) MEN1KMT2AIDO1HTR2AHTR2B

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 8 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
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US 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
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 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 (3 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D MEN1 1085/4885KMT2A 3931/4885IDO1 2989/4885
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S MEN1 1286/4885KMT2A 3363/4885IDO1 808/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S MEN1 1286/4885KMT2A 3363/4885IDO1 808/4885

“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.