SCHEMBL14005276

SCHEMBL14005276

CC(c1ccccc1)N(C)C(=O)c1cnc(NNCc2ccccc2)nc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.48
NFKB1 P19838 2/20 0.40
ATF1 P18846 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
JUN P05412 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL14030761 0.85 EGLN1 (0.39) CNR2EGLN1
SCHEMBL14005259 0.84 CNR2 (0.52) CNR2NFKB1ATF1
SCHEMBL14005256 0.82 CNR2 (0.55) CNR2MAPTLMNACYP1A2CYP2C9
SCHEMBL4745657 0.78 CNR2 (0.76) CNR2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL14030749 0.69 ACACB (0.43) CNR2EGLN1MAPTLMNA
SCHEMBL14005263 0.69 CNR2 (0.58) CNR2
SCHEMBL14005260 0.69 CNR2 (0.44) CNR2
SCHEMBL14030760 0.69 KMT2A (0.46) MAPT
SCHEMBL5780255 0.66 CNR2 (0.68) CNR2NFKB1ATF1CYP1A2CYP2C9
SCHEMBL5778821 0.66 CNR2 (0.68) CNR2NFKB1ATF1MAPTCYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 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 (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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 CNR2 496/4885NFKB1 526/4885ATF1 226/4885

“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.