SCHEMBL4655812

SCHEMBL4655812

OCCNCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
CDK1 P06493 1/20 0.46
CNR1 P21554 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAOB P27338 1/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
GPR55 Q9Y2T6 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL31618076 0.89 TAAR1 (0.47) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1846372 0.83 SMN1; SMN2 (0.50) TAAR1CDK1SMN1; SMN2
SCHEMBL4614131 0.83 PLAAT3 (0.59) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL833275 0.80 TAAR1 (0.61) TAAR1HDAC1HDAC8MAOB
SCHEMBL4414015 0.79 SMN1; SMN2 (0.58) CDK1HDAC1HDAC8MAOBSMN1; SMN2
SCHEMBL1966646 0.77 TAAR1 (0.46) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL31688487 0.77 MEN1 (0.57) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL16268998 0.77 SIGMAR1 (0.54) TAAR1MEN1KMT2AMAOBGPR55
SCHEMBL4575081 0.77 MTOR (0.56) TAAR1CNR1GAAMAPTSLC6A5
Hydrochloric Acid SCHEMBL6898067 0.77 TAAR1 (0.53) TAAR1LTA4HEPHX2KDM4E

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-1996198-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR Kalypsys, Inc. (US) 2008-12-03 EP disclosed
WO-2007109577-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-09-27 WO disclosed
WO-2007109577-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-09-27 WO disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 US disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 US disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 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-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR PPARG, PPARA, PPARD TAAR1 216/4885PLAAT3 161/4885PLAAT5 319/4885

“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.