SCHEMBL14004671

SCHEMBL14004671

CNC(=O)N[C@@H](C)c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.60
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
SSTR4 P31391 1/20 0.56
TRPV1 Q8NER1 2/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC3 O15379 1/20 0.52
CYP2C9 P11712 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52

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
SCHEMBL16480210 1.00 EPHX2 (0.60) EPHX2LMNAGAASSTR4TRPV1
SCHEMBL24575927 0.92 EPHX2 (0.64) EPHX2LMNAGAASSTR4TRPV1
SCHEMBL14025088 0.87 EPHX2 (0.60) EPHX2LMNAGAASSTR4TRPV1
SCHEMBL2692933 0.86 EPHX2 (0.59) EPHX2LMNAGAASSTR4TRPV1
SCHEMBL6514206 0.83 LMNA (0.61) EPHX2LMNAGAASSTR4MEN1
SCHEMBL6529748 0.83 LMNA (0.61) EPHX2LMNAGAASSTR4MEN1
SCHEMBL7263715 0.83 LMNA (0.61) EPHX2LMNAGAASSTR4MEN1
SCHEMBL8518963 0.83 LMNA (0.61) EPHX2LMNAGAASSTR4MEN1
SCHEMBL29609692 0.83 LMNA (0.61) EPHX2LMNAGAASSTR4MEN1
SCHEMBL9817975 0.83 LMNA (0.61) EPHX2LMNAGAASSTR4MEN1

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A EPHX2 2638/4885LMNA 2811/4885GAA 3192/4885
US-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 EPHX2 1670/4885LMNA 4687/4885GAA 4547/4885

“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.