SCHEMBL3740801

SCHEMBL3740801

O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.72
RAB9A P51151 3/20 0.72
NPC1 O15118 2/20 0.72
NPSR1 Q6W5P4 1/20 0.72
CXCL12 P48061 1/20 0.70
MAOB P27338 3/20 0.63
CYP2D6 P10635 2/20 0.63
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 2/20 0.63
MAOA P21397 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
TRPV1 Q8NER1 1/20 0.62
STAT3 P40763 1/20 0.61
CYP1A1 P04798 4/20 0.60
CYP1B1 Q16678 4/20 0.60
CYP1A2 P05177 1/20 0.60
P4HB P07237 1/20 0.59

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
SCHEMBL3740803 0.92 MAOB (0.74) MAPTRAB9ANPC1NPSR1CXCL12
SCHEMBL31233188 0.84 MAPT (1.00) MAPTRAB9ANPC1NPSR1CXCL12
SCHEMBL30383393 0.84 MAPT (1.00) MAPTRAB9ANPC1NPSR1CXCL12
SCHEMBL25203580 0.84 MAPT (1.00) MAPTRAB9ANPC1NPSR1CXCL12
SCHEMBL25206778 0.84 MAPT (1.00) MAPTRAB9ANPC1NPSR1CXCL12
SCHEMBL31574484 0.83 CXCL12 (1.00) MAPTRAB9ANPC1NPSR1CXCL12
SCHEMBL3746445 0.81 CYP1A1 (0.58) MAPTCXCL12MAOBCYP2D6ALDH1A1
SCHEMBL31574565 0.81 MAPT (0.85) MAPTRAB9ANPC1NPSR1CXCL12
SCHEMBL11816722 0.80 CYP1A1 (0.87) MAPTCXCL12MAOBMAOACYP1A1
SCHEMBL11816718 0.80 CYP1A1 (0.87) MAPTCXCL12MAOBMAOACYP1A1

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
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 MAPT 2958/4885RAB9A 1267/4885NPC1 2212/4885

“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.