SCHEMBL6096533

SCHEMBL6096533

COc1ccc(-c2ccc(-n3nnnc3C(F)(F)F)cc2)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
TACR1 P25103 12/20 0.40
ERN1 O75460 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL310305 0.91 TACR1 (0.44) ATMKDM4EALDH1A1HPGDMAPT
SCHEMBL5820443 0.79 TACR1 (0.36) ALDH1A1HPGDMAPTTACR1
SCHEMBL4203119 0.78 TACR1 (0.43) TACR1
SCHEMBL8706262 0.78 TACR1 (0.37) ALDH1A1HPGDMAPTTACR1
SCHEMBL5815553 0.77 TACR1 (0.44) TACR1
SCHEMBL7193387 0.77 TACR1 (0.41) TACR1
SCHEMBL3821496 0.77 TACR1 (0.37) TACR1
SCHEMBL8322001 0.76 TACR1 (0.38) MAPTTACR1
SCHEMBL6580528 0.76 TACR1 (0.41) TACR1
SCHEMBL7193383 0.76 TACR1 (0.40) TACR1

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
US-7067535-B2 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKU CO., LTD. (JP) 2006-06-27 US disclosed
US-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKI CO., LTD. (JP) 2004-05-20 US disclosed
EP-1323713-A1 5-PHENYLBENZYLAMINE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND INTERMEDIATES FOR THEIR SYNTHESIS TANABE SEIYAKU CO., LTD. (JP) 2003-07-02 EP 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-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis CYP1B1, MAOB, HTR1B ATM 3395/4885KDM4E 563/4885ALDH1A1 136/4885

“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.