SCHEMBL462738

SCHEMBL462738

CC(C)(C)C1(c2cccc(F)c2)CC(F)(F)CN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.40
OPRM1 P35372 4/20 0.38
OPRL1 P41146 3/20 0.38
HCAR2 Q8TDS4 1/20 0.36
HSD11B1 P28845 1/20 0.36
KDM1A O60341 2/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 2/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
SLC6A3 Q01959 2/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNB1 P11230 1/20 0.34

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
SCHEMBL462739 1.00 CCR2 (0.40) CCR2OPRM1OPRL1HCAR2HSD11B1
SCHEMBL17060748 0.78 CCR2 (0.41) CCR2OPRM1OPRL1HCAR2HSD11B1
SCHEMBL23632481 0.72 GPR119 (0.40) CCR2OPRM1OPRL1KDM1AALDH1A1
SCHEMBL30898773 0.72 GPR119 (0.40) CCR2OPRM1OPRL1KDM1AALDH1A1
SCHEMBL15689692 0.66 OPRM1 (0.49) CCR2OPRM1OPRL1HCAR2HSD11B1
SCHEMBL16766161 0.65 ALDH1A1 (0.35) HCAR2HSD11B1ALDH1A1
SCHEMBL31158684 0.65 GPR119 (0.44) OPRM1OPRL1CHRM4
SCHEMBL5527373 0.65 OPRD1 (0.46) OPRM1SLC6A4OPRD1OPRK1
SCHEMBL31158983 0.64 GPR119 (0.42) OPRM1OPRL1ALDH1A1CHRM4
SCHEMBL17031730 0.63 KDM1A (0.46) CCR2OPRM1OPRL1HSD11B1KDM1A

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
EP-2678338-B1 PYRAZOLO[1,5-A]PYRIDINES AS TRK INHIBITORS NOVARTIS AG (CH) 2015-09-09 EP disclosed
US-9102671-B2 Compounds and compositions as TRK inhibitors NOVARTIS AG (CH) 2015-08-11 US disclosed
EP-2678338-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2014-01-01 EP disclosed
US-20130331397-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-12-12 US disclosed
WO-2012116217-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-08-30 WO disclosed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 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-20130331397-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS CNKSR1, BMP2K, RAF1 CCR2 1452/4885OPRM1 3346/4885OPRL1 3030/4885

“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.