SCHEMBL6325819

SCHEMBL6325819

COc1ccc(CC(N)C(N)(Cc2ccc(OC)cc2)CC(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.54
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
LDHA P00338 1/20 0.41
AOC3 Q16853 2/20 0.39
TAAR1 Q96RJ0 3/20 0.38
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL636098 0.84 SLC6A4 (0.51) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL637388 0.80 SLC6A4 (0.50) SLC6A4CYP1A2CYP2D6CYP2C19AOC3
SCHEMBL635989 0.79 SLC6A4 (0.56) SLC6A4CYP1A2CYP2D6CYP2C19AOC3
SCHEMBL6327948 0.79 SLC6A4 (0.57) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL3946088 0.76 SLC6A4 (0.53) SLC6A4CYP1A2CYP2D6CYP2C19AOC3
SCHEMBL636064 0.76 SLC6A4 (0.53) SLC6A4CYP1A2CYP2D6CYP2C19AOC3
SCHEMBL21175654 0.74 SLC6A4 (0.63) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL9584268 0.73 SLC6A4 (0.58) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL14032256 0.73 SLC6A4 (0.61) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
Para-Methoxyamphetamine SCHEMBL264634 0.71 SLC6A4 (1.00) SLC6A4CYP1A2CYP2D6CYP2C19TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2814813-B1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF A PYRAZOLE CARBOXAMIDE SYNGENTA PARTICIPATIONS AG (CH) 2016-02-10 EP disclosed
US-9120759-B2 Process for the stereoselective preparation of a pyrazole carboxamide SYNGENTA PARTICIPATIONS AG (CH) 2015-09-01 US disclosed
US-20140364622-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF A PYRAZOLE CARBOXAMIDE SYNGENTA PARTICIPATIONS AG (CH) 2014-12-11 US disclosed
US-20050272930-A1 Process for the prepation of 3-hydroxy-(2-thienyl)propanamines HEMS WILLIAM 2005-12-08 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 (2 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-20140364622-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF A PYRAZOLE CARBOXAMIDE CYP4B1, CYP3A4, CYP2E1 SLC6A4 2724/4885CYP1A2 9/4885CYP2D6 18/4885
US-20050272930-A1 Process for the prepation of 3-hydroxy-(2-thienyl)propanamines PNMT, HPD, HRH3 SLC6A4 846/4885CYP1A2 83/4885CYP2D6 117/4885

“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.