SCHEMBL5430634

SCHEMBL5430634

O=c1[nH]cnc2c1CCN(c1cc(C(F)(F)F)ccn1)C2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.50
PARP1 P09874 3/20 0.41
KDM4E B2RXH2 3/20 0.39
CYP2D6 P10635 1/20 0.39
LCAT P04180 2/20 0.39
MAP3K12 Q12852 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP17A1 P05093 1/20 0.36
S1PR1 P21453 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL5431075 0.83 SCN9A (0.44) PARP1KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL5384112 0.77 ADRB1 (0.49) ADRB1KDM4ECYP2D6TRPV1FFAR4
SCHEMBL18176129 0.68 ADRB1 (0.73) ADRB1KDM4ECYP2D6LCATTRPV1
SCHEMBL20836286 0.68 HTT (0.46) PARP1MAPTALDH1A1
SCHEMBL4864780 0.68 TRPV1 (0.40) TRPV1
SCHEMBL30567166 0.68 ADRB1 (1.00) ADRB1KDM4ECYP2D6FFAR4MAPT
SCHEMBL210342 0.68 ADRB1 (1.00) ADRB1KDM4ECYP2D6FFAR4MAPT
SCHEMBL24008459 0.67 ADRB1 (0.71) ADRB1KDM4ECYP2D6TRPV1FFAR4
SCHEMBL30328706 0.67 ADRB1 (0.61) ADRB1KDM4ECYP2D6LCATFFAR4
Hydrochloric Acid SCHEMBL3327814 0.67 ADRB1 (0.97) ADRB1KDM4ECYP2D6FFAR4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
WO-2006118598-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof EVOTEC AG (DE) 2005-12-15 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-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof TRPV1, TRPV3, TRPA1 ADRB1 636/4885PARP1 1772/4885KDM4E 3991/4885

“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.