SCHEMBL26222015

SCHEMBL26222015

COc1ccc(N(C)C(=O)CN(CCN(C)C)c2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
MTNR1A P48039 6/20 0.41
MTNR1B P49286 6/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CETP P11597 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL26217525 0.89 HSD17B1 (0.43) HSD17B1HSD17B2MTNR1AMTNR1BNPC1
SCHEMBL26264793 0.84 BCL2A1 (0.46) TP53POLBMAPTLMNAALDH1A1
SCHEMBL26264792 0.83 LMNA (0.49) MTNR1AMTNR1BNPC1RAB9ATP53
SCHEMBL26264796 0.83 ALDH1A1 (0.45) NPC1RAB9ATP53POLBMAPT
SCHEMBL26264794 0.79 CETP (0.44) TP53POLBMAPTCETPLMNA
SCHEMBL26264800 0.79 L3MBTL1 (0.47) RAB9AMAPTLMNA
SCHEMBL26264805 0.77 POLQ (0.44) MAPTLMNAALDH1A1
SCHEMBL26222016 0.77 ALDH1A1 (0.45) NPC1RAB9ATP53POLBMAPT
SCHEMBL26264797 0.74 LMNA (0.43) MTNR1AMTNR1BNPC1RAB9ATP53
SCHEMBL26263915 0.73 HSD17B1 (0.43) HSD17B1HSD17B2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11806323-B2 Topical anesthetics PTC Innovations, LLC (US) 2023-11-07 US disclosed
US-20230285332-A1 TOPICAL ANESTHETICS PTC INNOVATIONS LLC (US) 2023-09-14 US disclosed
WO-2023172603-A1 ANESTHETIC COMPOUNDS AND METHODS OF MAKING AND USING SAME TO TREAT OR PREVENT PAIN SYMPTOMS PTC Innovations, LLC (US) 2023-09-14 WO 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 (2 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-20230285332-A1 TOPICAL ANESTHETICS OR10J3, ALKBH3, CHRM3 HSD17B1 4147/4885HSD17B2 4093/4885MTNR1A 984/4885
US-11806323-B2 Topical anesthetics OR10J3, ALKBH3, CHRM3 HSD17B1 4060/4885HSD17B2 4024/4885MTNR1A 1035/4885

“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.