SCHEMBL5453871

SCHEMBL5453871

Cc1cccc(Nc2nc(N3CCOCC3)cc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.57
MAPT P10636 3/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
SMG1 Q96Q15 2/20 0.52
CHEK1 O14757 1/20 0.52
CDK1 P06493 1/20 0.52
CDK2 P24941 1/20 0.52
GALR2 O43603 3/20 0.49
GALR1 P47211 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
USP2 O75604 1/20 0.47
GBA1 P04062 1/20 0.46
MTOR P42345 1/20 0.46
GAA P10253 1/20 0.45

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) TRPV1GALR2GALR1SMN1; SMN2ALDH1A1
SCHEMBL5450135 0.89 SMG1 (0.52) TRPV1TP53SMG1CHEK1CDK1
SCHEMBL5448943 0.88 CHEK1 (0.54) TRPV1SMG1CHEK1CDK2GALR2
SCHEMBL5443283 0.86 TRPV1 (0.52) TRPV1MAPTCHEK1GALR2GALR1
SCHEMBL5442078 0.84 GALR2 (0.64) TRPV1GALR2GALR1SMN1; SMN2
SCHEMBL5449394 0.84 TRPV1 (0.55) TRPV1GALR2GALR1GAA
SCHEMBL5441147 0.80 CTSL (0.58) TRPV1MAPTTP53POLBCHEK1
SCHEMBL5456557 0.80 LMNA (0.65) TRPV1MAPTSMN1; SMN2ALDH1A1USP2
SCHEMBL4918407 0.80 EPHX2 (0.55) TRPV1GALR2GALR1MTOR
SCHEMBL5456731 0.80 PIK3CA (0.60) TRPV1MAPTTP53POLBCHEK1

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 4 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
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 4826/4885TP53 2355/4885

“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.