SCHEMBL3256347

SCHEMBL3256347

CC(OC1CCNCC1)c1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.46
HTR6 P50406 7/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HRH1 P35367 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 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
SCHEMBL20588486 0.82 HTR6 (0.57) SLC6A4HTR6HTR2CHTR2BSLC6A2
SCHEMBL29117311 0.81 HRH1 (0.50) SLC6A4HTR6HRH1ADRA2AADRA2B
SCHEMBL3130007 0.81 HRH1 (0.50) SLC6A4HTR6HRH1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL18428982 0.80 HRH1 (0.49) SLC6A4HTR6HRH1ADRA2AADRA2B
SCHEMBL61407 0.71 HRH1 (0.65) HTR6HTR2CHRH1
SCHEMBL9157662 0.70 CYP3A4 (0.47) HTR2B
SCHEMBL20852303 0.70 CYP3A4 (0.47) HTR2B
SCHEMBL12040809 0.70 HRH1 (0.57) SLC6A4HTR6HTR2CHTR2BHRH1
SCHEMBL3258048 0.69 CYP3A4 (0.43) SLC6A4HTR2CHRH1SLC6A2SLC6A3
SCHEMBL2865199 0.69 CYP3A4 (0.42) SLC6A4HTR2BSLC6A2SLC6A3

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-1521749-B8 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-12-22 EP disclosed
EP-1521749-B1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-05-19 EP disclosed
US-7691855-B2 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yl)-amine derivatives NOVARTIS AG (CH) 2010-04-06 US disclosed
US-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives FURET PASCAL 2006-05-18 US disclosed
EP-1521749-A1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES Novartis AG (CH) 2005-04-13 EP disclosed
WO-2004005282-A1 PHENYL-[4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2004-01-15 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-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives MKI67, CCNI, PAH SLC6A4 1873/4885HTR6 1337/4885HTR2C 719/4885

“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.