SCHEMBL4246201

SCHEMBL4246201

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2NCc1cccc(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.36
HSD17B13 Q7Z5P4 2/20 0.34
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
GLS O94925 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2B P41595 1/20 0.31
LMNA P02545 1/20 0.31
P2RX7 Q99572 1/20 0.30
TRPV1 Q8NER1 3/20 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
SCHEMBL4247402 0.81 ITGB3 (0.36) SLC6A4
SCHEMBL4251215 0.80 SSTR1 (0.30)
SCHEMBL4240410 0.79
SCHEMBL4243300 0.78 CCNT1 (0.38) CDK9
Succinic Acid SCHEMBL506897 0.78 HSD17B13 (0.35) CDK9HSD17B13IRAK4GLSHTR2C
SCHEMBL4243003 0.77 HDAC3 (0.35) TRPV1
SCHEMBL4247816 0.77 HTR2C (0.33) HTR2C
SCHEMBL4928912 0.77 HRH3 (0.34) LMNA
SCHEMBL4250667 0.77 IKBKB (0.31)
SCHEMBL4239929 0.76 SMN1; SMN2 (0.41) LMNA

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 CDK9 2900/4885HSD17B13 442/4885CACNA1G 1004/4885

“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.