SCHEMBL6217465

SCHEMBL6217465

FC(F)(F)c1ccccc1-c1ccc2c(c1)[C@@H]1CNCC[C@@H]1N2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2C P28335 8/20 0.40
TRPA1 O75762 2/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
HTR2A P28223 6/20 0.39
HTR2B P41595 6/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6219238 0.84 HTR2C (0.37) HTR2CTRPA1HTR2AHTR2B
SCHEMBL6215612 0.82 MEN1 (0.39) CYP1A2CYP2C19HTR2CTRPA1HTR2A
SCHEMBL6216581 0.82 GRIA1 (0.40) HTR2C
SCHEMBL6216357 0.80 KDM4E (0.41) HTR2CHTR2AHTR2B
SCHEMBL6217378 0.77 HTR2C (0.46) HTR2CHTR2AHTR2B
SCHEMBL6249002 0.77 HTR2C (0.43) HTR2CHTR2AHTR2B
SCHEMBL6220656 0.77 HTR2C (0.43) HTR2CHTR2AHTR2B
SCHEMBL13627348 0.76 TRPA1 (0.41) CYP2C9LMNATP53CYP1A2CYP2C19
SCHEMBL4477738 0.76 TRPA1 (0.41) CYP2C9LMNATP53CYP1A2CYP2C19
SCHEMBL6668455 0.76 CYP1A2 (0.41) CYP2C9LMNATP53CYP1A2CYP2C19

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
EP-1414819-B1 THERAPEUTIC 1H-PYRIDO[4,3-b]INDOLES PHARMACIA & UPJOHN CO LLC (US) 2005-10-12 EP claimed
US-6849640-B2 Therapeutic 1H-pyrido [4,3-b] indoles PHARMACIA & UPJOHN COMPANY (US) 2005-02-01 US claimed
US-20030060464-A1 Therapeutic 1H-pyrido [ 4, 3-b ] indoles PHARMACIA & UPJOHN COMPANY 2003-03-27 US claimed
EP-1414819-B1 THERAPEUTIC 1H-PYRIDO[4,3-b]INDOLES PHARMACIA & UPJOHN CO LLC (US) 2005-10-12 EP disclosed
US-6849640-B2 Therapeutic 1H-pyrido [4,3-b] indoles PHARMACIA & UPJOHN COMPANY (US) 2005-02-01 US disclosed
US-20030060464-A1 Therapeutic 1H-pyrido [ 4, 3-b ] indoles PHARMACIA & UPJOHN COMPANY 2003-03-27 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-20030060464-A1 Therapeutic 1H-pyrido [ 4, 3-b ] indoles HTR3B, HTR4, HTR3C CYP2C9 523/4885LMNA 3654/4885TP53 4246/4885

“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.