SCHEMBL15908970

SCHEMBL15908970

Fc1cccc(CCO[C@H]2CC[C@@H]3CN(c4cccc(C(F)(F)F)n4)C[C@@H]32)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.44
NOS1 P29475 5/20 0.38
ACACB O00763 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
FFAR1 O14842 1/20 0.35
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TACR1 P25103 1/20 0.34

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
SCHEMBL15909042 0.90 GRIN2B (0.45) GRIN2BACACBTRPV1FFAR1DPP4
SCHEMBL15908905 0.81 GRIN2B (0.47) GRIN2BACACBFFAR1DPP4DPP9
SCHEMBL15909210 0.81 GRIN2B (0.47) GRIN2BACACBFFAR1HCRTR1HCRTR2
SCHEMBL15908972 0.77 TACR1 (0.46) GRIN2BACACBFFAR1TACR1
SCHEMBL15908998 0.77 GRIN2B (0.50) GRIN2BACACBFFAR1HCRTR1HCRTR2
SCHEMBL15908952 0.75 GRIN2B (0.48) GRIN2BACACBFFAR1HCRTR1HCRTR2
SCHEMBL15908938 0.75 GRIN2B (0.42) GRIN2BACACBFFAR1HCRTR1HCRTR2
SCHEMBL15909325 0.74 GRIN2B (0.47) GRIN2BACACBFFAR1
SCHEMBL15909116 0.73 GRIN2B (0.50) GRIN2BACACBTRPV1FFAR1DPP4
SCHEMBL16497829 0.71 GRIN2B (0.53) GRIN2BACACBFFAR1DPP4DPP9

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-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 GRIN2B 183/4885NOS1 729/4885ACACB 2727/4885

“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.