SCHEMBL21531702

SCHEMBL21531702

C[C@@H](N)C(=O)N[C@H](CNC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GPR139 Q6DWJ6 1/20 0.51
GPR88 Q9GZN0 4/20 0.50
CTRB1 P17538 2/20 0.49
EPHX2 P34913 1/20 0.47
SLC6A9 P48067 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL21523060 0.99 NPC1 (0.52) NPC1RAB9ASMN1; SMN2GPR139GPR88
Hydrochloric Acid SCHEMBL21523049 0.99 NPC1 (0.52) NPC1RAB9ASMN1; SMN2GPR139GPR88
Hydrochloric Acid SCHEMBL21523053 0.99 NPC1 (0.52) NPC1RAB9ASMN1; SMN2GPR139GPR88
Hydrochloric Acid SCHEMBL21523052 0.99 NPC1 (0.52) NPC1RAB9ASMN1; SMN2GPR139GPR88
SCHEMBL21531699 0.88 EPHX2 (0.55) NPC1RAB9ASMN1; SMN2GPR88EPHX2
Hydrochloric Acid SCHEMBL21523048 0.87 EPHX2 (0.54) NPC1RAB9ASMN1; SMN2GPR88EPHX2
Hydrochloric Acid SCHEMBL21523046 0.87 EPHX2 (0.54) NPC1RAB9ASMN1; SMN2GPR88EPHX2
Hydrochloric Acid SCHEMBL21523045 0.87 EPHX2 (0.54) NPC1RAB9ASMN1; SMN2GPR88EPHX2
Hydrochloric Acid SCHEMBL21523066 0.87 EPHX2 (0.54) NPC1RAB9ASMN1; SMN2GPR88EPHX2
SCHEMBL21531705 0.80 NPC1 (0.56) NPC1RAB9ASMN1; SMN2GPR139EPHX2

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-20190330141-A1 Compositions With A Cooling Effect THE PROCTER & GAMBLE COMPANY 2019-10-31 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-20190330141-A1 Compositions With A Cooling Effect CUTA, FABP4, EBP NPC1 2946/4885RAB9A 2546/4885SMN1; SMN2 1308/4885

“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.