SCHEMBL12749574

SCHEMBL12749574

Cc1ccc(CN(C)CC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 6/20 0.52
NPSR1 Q6W5P4 1/20 0.45
CYP2C19 P33261 1/20 0.37
IDO1 P14902 1/20 0.37
CETP P11597 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN1 P18031 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL21962259 0.82 PYCR1 (0.53) PYCR1MEN1LMNAKMT2ATAAR1
SCHEMBL1472497 0.82 NR1I2 (0.42) PYCR1HRH3
SCHEMBL4632355 0.82 PYCR1 (0.41) PYCR1HRH3TAAR1
SCHEMBL23032284 0.82 ALDH1A1 (0.52) PYCR1CYP2C19LMNACYP1A2
SCHEMBL16312619 0.80 PYCR1 (0.65) PYCR1NPSR1CYP2C19IDO1HRH3
Hydrochloric Acid SCHEMBL25237515 0.80 ALDH1A1 (0.52) PYCR1CYP2C19LMNACYP1A2
SCHEMBL1009445 0.78 PYCR1 (0.38) PYCR1HRH3LMNA
SCHEMBL17540309 0.78 PYCR1 (0.41) PYCR1HRH3KCNH2
SCHEMBL4631973 0.78 CYP2A6 (0.46) PYCR1IDO1HRH3CYP2A6
SCHEMBL22013587 0.75 CA2 (0.50)

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-7915258-B2 Substituted 2,5-dihydro-3H-pyrazolo[4,3-C]pyridazin-3-one derivatives, preparation thereof and therapeutic use of the same SANOFI-AVENTIS (FR) 2011-03-29 US disclosed
US-20090281107-A1 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME SANOFI-AVENTIS (FR) 2009-11-12 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-20090281107-A1 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME DHFR, DPYD, QDPR PYCR1 53/4885NPSR1 577/4885CYP2C19 111/4885

“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.