SCHEMBL21523029

SCHEMBL21523029

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
EPHX2 P34913 2/20 0.57
GAA P10253 2/20 0.55
GPR139 Q6DWJ6 1/20 0.50
TACR1 P25103 1/20 0.48
GBA1 P04062 1/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
BCAT2 O15382 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
SLC6A9 P48067 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46

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
SCHEMBL4982059 1.00 NPC1 (0.67) NPC1RAB9ASMN1; SMN2EPHX2GAA
Hydrochloric Acid SCHEMBL5405392 0.98 NPC1 (0.65) NPC1RAB9ASMN1; SMN2EPHX2GAA
Hydrochloric Acid SCHEMBL5399781 0.88 LMNA (0.58) NPC1RAB9ASMN1; SMN2EPHX2KMT2A
SCHEMBL21523087 0.85 EPHX2 (0.65) NPC1RAB9ASMN1; SMN2EPHX2KMT2A
SCHEMBL21523088 0.85 EPHX2 (0.65) NPC1RAB9ASMN1; SMN2EPHX2KMT2A
SCHEMBL31530566 0.83 NPC1 (0.73) NPC1RAB9ASMN1; SMN2EPHX2GAA
SCHEMBL14861144 0.83 GBA1 (0.51) NPC1RAB9ASMN1; SMN2GBA1BCAT2
SCHEMBL1206387 0.83 GBA1 (0.51) NPC1RAB9ASMN1; SMN2GBA1BCAT2
SCHEMBL14861146 0.83 GBA1 (0.51) NPC1RAB9ASMN1; SMN2GBA1BCAT2
SCHEMBL28212893 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2EPHX2GAA

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 2 patents. 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
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.