SCHEMBL6732066

SCHEMBL6732066

CN(C)C[C@H](Cc1ccccc1)NC(=O)N(CCO)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC4 P56524 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
OPRM1 P35372 4/20 0.41
OPRD1 P41143 4/20 0.41
OPRK1 P41145 4/20 0.41
SIGMAR1 Q99720 3/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTSB P07858 1/20 0.38
LPAR1 Q92633 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
SCHEMBL6736034 0.85 HDAC4 (0.38) CYP3A4MAPK1HDAC4HDAC6OPRM1
SCHEMBL6731675 0.84 MAPK1 (0.51) CYP3A4MAPK1OPRM1OPRD1OPRK1
SCHEMBL27538262 0.80 LPAR1 (0.53) LPAR1
SCHEMBL6895388 0.80 LPAR1 (0.53) LPAR1
SCHEMBL6891317 0.80 LPAR1 (0.53) LPAR1
SCHEMBL9588891 0.79 CTRB1 (0.58) CYP3A4MAPK1
SCHEMBL7214151 0.79 SIGMAR1 (0.41) SIGMAR1MEN1KMT2A
SCHEMBL6891324 0.78 TACR2 (0.44) CYP3A4KMT2A
SCHEMBL6896205 0.78 LPAR1 (0.53) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL6890154 0.78 LPAR1 (0.53) MEN1NPC1RAB9AKMT2ATDP1

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-6683200-B2 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE IS USED AS A TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORY AGENT AND A THERAPEUTICAL AGENT FOR AUTOIMMUNE DISEASES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-01-27 US disclosed
US-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-06 US disclosed
EP-1172358-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND MEDICINAL COMPOSITIONS CONTAINING THE SAME SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 EP 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-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives TNF, NFKBIA, UMPS CYP3A4 427/4885MAPK1 343/4885HDAC4 2744/4885

“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.