SCHEMBL7675734

SCHEMBL7675734

Cc1cc2c3c(c1)c1c(n3CCO2)CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.41
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
EGLN1 Q9GZT9 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
RIPK1 Q13546 1/20 0.30
BCL2 P10415 1/20 0.30
BCL2L1 Q07817 1/20 0.30
BAZ2B Q9UIF8 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
SCHEMBL7673579 0.86 HTR2A (0.38) MCL1HTR2AHTR2CEGLN1PTGDR2
SCHEMBL7673368 0.86 HTR2C (0.41) MCL1HTR2AHTR2CEGLN1PTGDR2
SCHEMBL6490814 0.81 MEN1 (0.47) PTGDR2
SCHEMBL7038582 0.80 HTR2C (0.48) MCL1HTR2AHTR2CPTGDR2ALDH1A1
SCHEMBL6852208 0.77 HTR2A (0.31) MCL1HTR2AHTR2CPTGDR2
SCHEMBL6847653 0.76 HTR2C (0.65) MCL1HTR2AHTR2C
SCHEMBL12456771 0.76 HTR2A (0.43) HTR2AHTR2C
SCHEMBL6851580 0.76 MCL1 (0.32) MCL1HTR2AHTR2C
Hydrochloric Acid SCHEMBL6495767 0.75 HTR2C (0.64) MCL1HTR2AHTR2C
Hydrochloric Acid SCHEMBL11442925 0.75 HTR2A (0.42) HTR2AHTR2C

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 MCL1 493/4885HTR2A 43/4885HTR2C 24/4885

“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.