SCHEMBL5454492

SCHEMBL5454492

Cc1ccc(Nc2nc(N3CCOCC3)cc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.51
GALR2 O43603 2/20 0.51
GALR1 P47211 2/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HSD11B1 P28845 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL5443283 0.91 TRPV1 (0.52) TRPV1GALR2GALR1LMNAKDM4E
SCHEMBL5453871 0.91 TRPV1 (0.57) TRPV1GALR2GALR1SMN1; SMN2ALDH1A1
SCHEMBL5442078 0.90 GALR2 (0.64) TRPV1GALR2GALR1SMN1; SMN2HSD11B1
SCHEMBL5456557 0.89 LMNA (0.65) TRPV1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL5455407 0.87 GALR2 (0.68) TRPV1GALR2GALR1LMNA
SCHEMBL5449394 0.86 TRPV1 (0.55) TRPV1GALR2GALR1LMNA
SCHEMBL5450135 0.85 SMG1 (0.52) TRPV1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5448943 0.84 CHEK1 (0.54) TRPV1GALR2GALR1SMN1; SMN2HSD11B1
SCHEMBL4918407 0.81 EPHX2 (0.55) TRPV1GALR2GALR1HSD11B1
SCHEMBL5455349 0.80 MAPT (0.63) TRPV1LMNASMN1; SMN2KDM4EHPGD

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 402/4885GALR2 34/4885GALR1 29/4885

“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.