SCHEMBL2420105

SCHEMBL2420105

CNS(=O)(=O)c1cccnc1N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
HIF1A Q16665 1/20 0.44
FTO Q9C0B1 1/20 0.44
HTR6 P50406 2/20 0.44
HTR2C P28335 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 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
SCHEMBL4820196 0.85 EPHX2 (0.46) EPHX2CYP3A4TSHRNFKB1THPO
SCHEMBL28070943 0.84 DRD4 (0.53) EPHX2CYP3A4TSHRNFKB1THPO
SCHEMBL4551822 0.82 EPHX2 (0.50) EPHX2CYP3A4TSHRNFKB1THPO
SCHEMBL20129651 0.81 EPHX2 (0.52) EPHX2CYP3A4TSHRNFKB1THPO
SCHEMBL4807185 0.75 EPHX2 (0.49) EPHX2CYP3A4HTR2CLMNA
SCHEMBL9036740 0.75 EPHX2 (0.55) EPHX2HTR2C
Piperazine SCHEMBL6684567 0.74 EPHX2 (0.48) EPHX2CYP3A4HTR2CLMNA
SCHEMBL8792881 0.72 EPHX2 (0.56) EPHX2HTR2C
SCHEMBL615931 0.72 EPHX2 (0.59) EPHX2CYP3A4TSHRHTR2C
SCHEMBL28082095 0.72 EPHX2 (0.49) EPHX2HTR6HTR2C

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-8026241-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2011-09-27 US disclosed
US-7582761-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-09-01 US disclosed
US-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-06-04 US disclosed
EP-1551811-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Amgen Inc. (US) 2005-07-13 EP disclosed
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-05 US disclosed
WO-2004035549-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2004-04-29 WO 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 (2 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-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV3, TRPV2 EPHX2 4217/4885CYP3A4 1151/4885TSHR 832/4885
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 EPHX2 4428/4885CYP3A4 1114/4885TSHR 713/4885

“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.