SCHEMBL15908962

SCHEMBL15908962

C[C@]1(NC(=O)c2cccc(F)c2)CC[C@@H]2CNC[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
GRM5 P41594 7/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
FPR2 P25090 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL37968 1.00 L3MBTL1 (0.47) L3MBTL1GRM5CYP2C9CYP2C19CYP2D6
SCHEMBL15909001 1.00 L3MBTL1 (0.47) L3MBTL1GRM5CYP2C9CYP2C19CYP2D6
SCHEMBL37741 0.86 CHRNB2 (0.43) CYP2C19HPGDRAB9A
SCHEMBL15908968 0.86 CHRNB2 (0.43) CYP2C19HPGDRAB9A
SCHEMBL37905 0.86 CHRNB2 (0.43) CYP2C19HPGDRAB9A
SCHEMBL37562 0.77 KMT2A (0.48) CYP2D6CYP1A2HPGDKMT2AMEN1
SCHEMBL15908932 0.77 KMT2A (0.48) CYP2D6CYP1A2HPGDKMT2AMEN1
SCHEMBL15909047 0.77 KMT2A (0.48) CYP2D6CYP1A2HPGDKMT2AMEN1
SCHEMBL15909032 0.74 GRIN2B (0.46) KMT2AMEN1
SCHEMBL37525 0.74 GRIN2B (0.46) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796470-B2 Substituted octahydrocyclopenta[c]pyrroles as calcium channel modulators ABBVIE INC. (US) 2014-08-05 US claimed
US-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 US claimed
US-8796470-B2 Substituted octahydrocyclopenta[c]pyrroles as calcium channel modulators ABBVIE INC. (US) 2014-08-05 US disclosed
US-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 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-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ORAI1, CACNA1E, RYR1 L3MBTL1 3823/4885GRM5 546/4885CYP2C9 1655/4885

“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.