SCHEMBL14815248

SCHEMBL14815248

O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)N2C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 6/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ SFRP1 Q8N474 1/20 0.47
▸ PKLR P30613 1/20 0.47
▸ HSD11B1 P28845 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ ELOVL6 Q9H5J4 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ NR1I2 O75469 2/20 0.43
▸ UBE2M P61081 1/20 0.43
▸ DCUN1D1 Q96GG9 1/20 0.43
▸ CNR1 P21554 1/20 0.43

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
SCHEMBL14815482 0.95 HSD11B1 (0.51) CACNA1BALDH1A1HPGDCASP1HTT
SCHEMBL14815064 0.89 HRH1 (0.45) CACNA1BALDH1A1PKLRELOVL6HDAC8
SCHEMBL14815148 0.79 DRD2 (0.48) CACNA1BALDH1A1HPGDSMN1; SMN2HDAC8
SCHEMBL14814826 0.79 HSD11B1 (0.58) CACNA1BHPGDHSD11B1SMN1; SMN2POLB
SCHEMBL14815463 0.79 HSD11B1 (0.56) HPGDHSD11B1POLBUBE2MDCUN1D1
SCHEMBL14815325 0.78 MGLL (0.59) HPGDHSD11B1SMN1; SMN2POLB
SCHEMBL14815284 0.78 MGLL (0.56) HSD11B1SMN1; SMN2
SCHEMBL14815382 0.77 SIGMAR1 (0.46) CACNA1BALDH1A1
SCHEMBL14815352 0.76 CA1 (0.45) ELOVL6HDAC8
SCHEMBL14815226 0.75 HSD11B1 (0.56) ALDH1A1HPGDHSD11B1POLBUBE2M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed

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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1E, CACNA1D CACNA1B 5/4885ALDH1A1 1283/4885HPGD 2799/4885

“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.

Send feedback