SCHEMBL37905

SCHEMBL37905

C[C@@]1(NC(=O)c2ccccc2)CC[C@@H]2CNC[C@@H]21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
FAAH O00519 1/20 0.40
CTSL P07711 1/20 0.39
CCR1 P32246 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSK P43235 1/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
EZH2 Q15910 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL15908968 1.00 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL37741 1.00 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL37968 0.86 L3MBTL1 (0.47) HPGDRAB9ACYP2C19
SCHEMBL15909001 0.86 L3MBTL1 (0.47) HPGDRAB9ACYP2C19
SCHEMBL15908962 0.86 L3MBTL1 (0.47) HPGDRAB9ACYP2C19
SCHEMBL44140 0.77 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15908888 0.77 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL37325 0.76 DRD4 (0.44) TSHRMAPK1CYP2C19
SCHEMBL37324 0.76 DRD4 (0.44) TSHRMAPK1CYP2C19
SCHEMBL15908943 0.76 DRD4 (0.44) TSHRMAPK1CYP2C19

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 5 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
WO-2011149993-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 WO 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 CHRNB2 583/4885CHRNB4 799/4885CHRNA3 391/4885

“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.