SCHEMBL16017205

SCHEMBL16017205

Cc1ccoc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 19/20 0.52
GRM4 Q14833 16/20 0.52
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL16019771 0.85 ALDH1A1 (0.48) NPC1PKMRAB9AKMT2A
SCHEMBL14887484 0.85 CRACR2A (0.45) RAB9ACYP1A2
SCHEMBL16017197 0.84 ALDH1A1 (0.58) MEN1RAB9AKMT2ACYP1A2
SCHEMBL16017209 0.83 RAB9A (0.47) NPC1RAB9ACYP1A2
SCHEMBL16017200 0.82 CRACR2A (0.44) RAB9ACYP1A2
SCHEMBL14887705 0.82 CRACR2A (0.58) MEN1NPC1RAB9AKMT2A
SCHEMBL16017189 0.82 STIM1 (0.51) RAB9ACYP1A2
SCHEMBL16019773 0.82 GRM1 (0.48) GRM1GRM4NPC1RAB9A
SCHEMBL16017182 0.82 BACE1 (0.44) RAB9AKMT2A
SCHEMBL14887330 0.82 CRACR2A (0.54)

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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GRM1 1425/4885GRM4 1253/4885MEN1 2958/4885

“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.