SCHEMBL7672109

SCHEMBL7672109

CC1Cn2c3c(c4cccc(c42)O1)CCN(C(=O)O)CC3

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.39
HTR2A P28223 2/20 0.39
MCL1 Q07820 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
MAPT P10636 5/20 0.34
FABP4 P15090 2/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
TP53 P04637 1/20 0.33
CREBBP Q92793 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6495688 0.86 MEN1 (0.47) HTR2CMEN1KMT2APTGDR2MAPT
SCHEMBL6851523 0.80 HTR2A (0.39) HTR2CHTR2AMCL1PTGDR2FABP4
SCHEMBL6485143 0.79 HTR2C (0.46) HTR2CHTR2AMCL1MEN1KMT2A
SCHEMBL6847348 0.77 HTR2C (0.61) HTR2CHTR2AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6494325 0.76 HTR2C (0.60) HTR2CHTR2AMEN1KMT2AMAPT
SCHEMBL6851617 0.75 PTGDR2 (0.34) MEN1KMT2APTGDR2FABP4ALDH1A1
SCHEMBL6496372 0.74 PTGDR2 (0.36) HTR2CHTR2AMEN1KMT2APTGDR2
SCHEMBL7030588 0.71 MCL1 (0.52) HTR2CHTR2AMCL1MEN1KMT2A
SCHEMBL6491761 0.70 CHRM1 (0.38) HTR2CHTR2AMCL1PTGDR2
SCHEMBL6847665 0.68 PTGDR2 (0.33) MEN1KMT2APTGDR2FABP4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US claimed
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 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-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2A 43/4885MCL1 493/4885

“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.