SCHEMBL19699381

SCHEMBL19699381

Cc1cnc(N2CC(O)(c3ccc(O)cc3Cl)C2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.46
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GRM4 Q14833 1/20 0.31
PDK2 Q15119 1/20 0.31
EIF2AK4 Q9P2K8 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
AURKA O14965 1/20 0.30

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
SCHEMBL19690321 0.83 NR1H4 (0.40) NR1H4GRM4
SCHEMBL30775162 0.82 NR1H4 (0.51) NR1H4HDAC3HDAC1HDAC2HDAC6
SCHEMBL19699379 0.80 NR1H4 (0.48) NR1H4
SCHEMBL19698946 0.73 NR1H4 (0.80) NR1H4
SCHEMBL19690236 0.67 SMO (0.41) NR1H4
SCHEMBL19690343 0.67 NR1H4 (0.44) NR1H4
SCHEMBL30775159 0.65 NR1H4 (0.53) NR1H4
SCHEMBL29139872 0.65 NR1H4 (0.53) NR1H4
SCHEMBL19689487 0.65 MALT1 (0.40) NR1H4
SCHEMBL30064306 0.65 MALT1 (0.40) NR1H4

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-20170355693-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2017-12-14 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-20170355693-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 NR1H4 1/4885PDE2A 3679/4885PDE10A 2909/4885

“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.