SCHEMBL5435448

SCHEMBL5435448

CCCCCCC(NC(=O)O)(c1nc(C2CCCCC2)c[nH]1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.37
CCR2 P41597 3/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CXCR4 P61073 1/20 0.36
CNR2 P34972 12/20 0.35
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31
NAAA Q02083 1/20 0.30

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
SCHEMBL1928371 0.78 ADORA1 (0.37)
SCHEMBL1927825 0.77 ADORA3 (0.35) CNR1CNR2
SCHEMBL1929441 0.77 ADORA1 (0.38)
SCHEMBL5442720 0.76 SMPD1 (0.35)
SCHEMBL1927157 0.74 CASP3 (0.39)
SCHEMBL1928645 0.73 PPARG (0.36)
SCHEMBL1928638 0.73 ADORA1 (0.39)
SCHEMBL2337547 0.69 CCR2 (0.36) CNR1CCR2CNR2EPHX1EPHX2
SCHEMBL1929229 0.68 ADORA1 (0.36)
SCHEMBL5435446 0.67 CNR1 (0.32) CNR1CCR2CCR1CCR5CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2007-08-02 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-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, SDHA CNR1 432/4885CCR2 1263/4885CCR1 3845/4885

“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.