SCHEMBL4243003

SCHEMBL4243003

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2NCc1ccc(C(=O)NCCC(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HPGD P15428 5/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
IKBKB O14920 2/20 0.31
PTGES O14684 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GCGR P47871 1/20 0.30
CHRM4 P08173 1/20 0.30
TP53 P04637 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30

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
SCHEMBL4250667 0.90 IKBKB (0.31) HPGDPOLBMAPTIKBKB
SCHEMBL4245052 0.89 MEN1 (0.40) HDAC3MAPTALDH1A1
SCHEMBL4243959 0.87 MAPT (0.39) HPGDPOLBMAPTSMN1; SMN2
SCHEMBL4243728 0.86 PPARG (0.40)
SCHEMBL4240290 0.85 HPGD (0.40) HPGDPOLBMAPTSMN1; SMN2
SCHEMBL4240410 0.85
SCHEMBL4249154 0.85 HPGD (0.43) HPGDPOLBIKBKBSMN1; SMN2ALDH1A1
SCHEMBL4247402 0.84 ITGB3 (0.36) IKBKBITGB1
SCHEMBL4247987 0.84
SCHEMBL4247579 0.84 HPGD (0.39) HPGDPOLBSMN1; SMN2ALDH1A1

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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 HDAC3 694/4885HPGD 3805/4885POLB 4710/4885

“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.