SCHEMBL6851523

SCHEMBL6851523

CC1(C)Cn2c3c(c4cccc(c42)O1)CCN(C(=O)O)CC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.39
HTR2C P28335 2/20 0.39
MCL1 Q07820 4/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.35
FABP4 P15090 2/20 0.34
BCL2L1 Q07817 2/20 0.32
BCL2 P10415 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
SLC6A2 P23975 2/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
HTR7 P34969 2/20 0.32
HTR2B P41595 2/20 0.32
HTR1A P08908 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
HTR6 P50406 1/20 0.32
CREBBP Q92793 1/20 0.31

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
SCHEMBL7672109 0.80 HTR2C (0.39) HTR2AHTR2CMCL1PTGDR2FABP4
SCHEMBL6851495 0.77 HTR2C (0.61) HTR2AHTR2CHTR6CYP2C9
Hydrochloric Acid SCHEMBL6493918 0.76 HTR2C (0.60) HTR2AHTR2CHTR6CYP2C9
SCHEMBL6847665 0.74 PTGDR2 (0.33) PTGDR2FABP4
SCHEMBL6485143 0.72 HTR2C (0.46) HTR2AHTR2CMCL1PTGDR2FABP4
SCHEMBL7030588 0.71 MCL1 (0.52) HTR2AHTR2CMCL1BCL2CYP2C9
SCHEMBL6790723 0.70 HTT (0.40) HTR2APTGDR2ADRA2AADRA2BADRA2C
SCHEMBL6496372 0.70 PTGDR2 (0.36) HTR2AHTR2CPTGDR2FABP4ADRA2A
SCHEMBL6495688 0.67 MEN1 (0.47) HTR2CPTGDR2SIGMAR1
SCHEMBL7675734 0.67 MCL1 (0.41) HTR2AHTR2CMCL1PTGDR2BCL2L1

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-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP claimed
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 HTR2A 43/4885HTR2C 24/4885MCL1 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.