SCHEMBL5443283

SCHEMBL5443283

Fc1ccc(Nc2nc(N3CCOCC3)cc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.52
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
GALR2 O43603 2/20 0.49
GALR1 P47211 2/20 0.49
CHEK1 O14757 1/20 0.48
HSD11B1 P28845 1/20 0.48
EPHX2 P34913 1/20 0.46

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
SCHEMBL5454492 0.91 TRPV1 (0.51) TRPV1KDM4ELMNAHPGDMAPK1
SCHEMBL5455349 0.89 MAPT (0.63) TRPV1MAPTKDM4ELMNAHPGD
SCHEMBL5442078 0.89 GALR2 (0.64) TRPV1GALR2GALR1HSD11B1
SCHEMBL5454502 0.87 GALR2 (0.66) TRPV1MAPTGALR2GALR1
SCHEMBL5450135 0.86 SMG1 (0.52) TRPV1LMNAHPGDCHEK1HSD11B1
SCHEMBL5453871 0.86 TRPV1 (0.57) TRPV1MAPTGALR2GALR1CHEK1
SCHEMBL5448943 0.85 CHEK1 (0.54) TRPV1GALR2GALR1CHEK1HSD11B1
SCHEMBL5449394 0.83 TRPV1 (0.55) TRPV1LMNAGALR2GALR1EPHX2
SCHEMBL4918407 0.82 EPHX2 (0.55) TRPV1GALR2GALR1HSD11B1EPHX2
SCHEMBL5448980 0.81 TRPV1 (0.60) TRPV1MAPTKDM4ELMNAHSD11B1

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
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 US claimed
EP-1651636-A1 SUBSTITUTED HETEROCYCLIC DIARYLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-05-03 EP claimed
WO-2005007646-A1 SUBSTITUTED HETEROCYCLIC DIARYLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 WO claimed
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 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-20070043049-A1 Substituted heterocyclic diarylamine analogues GPR35, NPY1R, BDKRB1 TRPV1 402/4885MAPT 4826/4885KDM4E 1667/4885

“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.