SCHEMBL3568931

SCHEMBL3568931

Cc1ccc2[nH]c3c(c2c1)CCNC3c1cccc(O)c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.81
HTR2C P28335 14/20 0.81
DRD2 P14416 1/20 0.74
HTR7 P34969 1/20 0.74
KIF11 P52732 4/20 0.64

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
SCHEMBL8404343 0.86 HTR2A (0.72) HTR2AHTR2CDRD2HTR7
SCHEMBL763632 0.86 HTR2A (1.00) HTR2AHTR2CDRD2HTR7
SCHEMBL3567786 0.85 HTR2A (0.75) HTR2AHTR2CDRD2HTR7
SCHEMBL3568230 0.85 HTR7 (1.00) HTR2AHTR2CDRD2HTR7
SCHEMBL763827 0.81 HTR2A (0.97) HTR2AHTR2CDRD2HTR7
SCHEMBL764025 0.81 HTR2A (1.00) HTR2AHTR2C
SCHEMBL30274420 0.80 HTR2A (0.74) HTR2AHTR2CDRD2HTR7
SCHEMBL18932890 0.78 HTR2A (0.78) HTR2AHTR2C
SCHEMBL8404341 0.77 HTR2C (0.67) HTR2AHTR2CHTR7
SCHEMBL8404340 0.77 HTR2C (0.67) HTR2AHTR2CHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855295-B2 Tetrahydrocarboline compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-21 US disclosed
US-7855295-B2 Tetrahydrocarboline compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-21 US disclosed
US-7855295-B2 Tetrahydrocarboline compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-21 US disclosed
EP-1706404-A2 TETRAHYDROCARBOLINE COMPOUNDS AS ANTICANCER AGENTS Chiron Corporation (US) 2006-10-04 EP disclosed
US-20050215580-A1 Tetrahydrocarboline compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-09-29 US disclosed
WO-2005070930-A2 TETRAHYDROCARBOLINE COMPOUNDS AS ANTICANCER AGENTS CHIRON CORPORATION (US) 2005-08-04 WO 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-20050215580-A1 Tetrahydrocarboline compounds as anticancer agents MTHFD1, BAD, DHFR HTR2A 1168/4885HTR2C 421/4885DRD2 1013/4885

“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.