SCHEMBL4068795

SCHEMBL4068795

CC(F)(CCC(CC(O)[CH]Cc1cccc(OC(F)(F)F)c1)C(N)=O)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
VNN1 O95497 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CETP P11597 2/20 0.38
AMPD2 Q01433 1/20 0.36
SCN9A Q15858 1/20 0.36
AKR1C3 P42330 1/20 0.35
CNR1 P21554 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL4064796 0.88 EPHX1 (0.44) EPHX1VNN1AMPD2PPARGPPARA
SCHEMBL2675451 0.86 CCR1 (0.42) VNN1CHRM2SCN9AAKR1C3
SCHEMBL6167494 0.85 CCR1 (0.40) EPHX1CHRM2
SCHEMBL4067071 0.84 EPHX1 (0.38) EPHX1TRPM8CHRM2CETP
SCHEMBL4064473 0.80 VNN1 (0.34) VNN1
SCHEMBL4068827 0.79 EPHX1 (0.33) EPHX1VNN1CHRM2CNR1
SCHEMBL4065301 0.79 EPHX1 (0.33) EPHX1VNN1CHRM2CNR1
SCHEMBL4071145 0.79 CCR1 (0.34) CHRM2
SCHEMBL4059064 0.79 CCR1 (0.33)
SCHEMBL4069920 0.79 CCR1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 EPHX1 805/4885VNN1 3540/4885TRPM8 3936/4885

“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.