SCHEMBL859226

SCHEMBL859226

O=C(C(Nc1ccccc1F)c1ccc(Br)cc1)N1CCC[C@H]1c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIB P23284 2/20 0.39
PPIA P62937 1/20 0.39
ROCK2 O75116 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
ADAM17 P78536 1/20 0.36
F7 P08709 3/20 0.35
F3 P13726 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL840035 1.00 PPIB (0.39) PPIBPPIAROCK2ALDH1A1MEN1
SCHEMBL1937979 0.90 LMNA (0.43) PPIBPPIAROCK2ALDH1A1MEN1
SCHEMBL9289714 0.90 PPIB (0.40) PPIBPPIAROCK2ALDH1A1MEN1
SCHEMBL859602 0.90 PPIB (0.39) PPIBPPIAROCK2ALDH1A1MEN1
SCHEMBL9288752 0.90 PPIB (0.40) PPIBPPIAROCK2ALDH1A1MEN1
SCHEMBL859083 0.88 TRPM8 (0.46) PPIBPPIA
SCHEMBL840944 0.88 TRPM8 (0.46) PPIBPPIA
SCHEMBL840878 0.86 ROCK2 (0.40) PPIBPPIAROCK2ALDH1A1SCD
SCHEMBL859369 0.85 ROCK2 (0.41) PPIBPPIAROCK2ALDH1A1SCD
SCHEMBL839869 0.85 ADAM17 (0.37) PPIBPPIAROCK2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331499-B1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-09-21 EP disclosed
US-8324217-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
US-8324217-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
US-20120136006-A1 COLD MENTHOL RECEPTOR ANTAGONISTS COLBURN RAYMOND W (US) 2012-05-31 US disclosed
US-20120136006-A1 COLD MENTHOL RECEPTOR ANTAGONISTS COLBURN RAYMOND W (US) 2012-05-31 US disclosed
US-8143259-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2012-03-27 US disclosed
US-8143259-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2012-03-27 US disclosed
WO-2010021878-A1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 WO disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 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 (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-20100048589-A1 Cold Menthol Receptor Antagonists TRPV1, TRPM2, TRPM6 PPIB 3094/4885PPIA 4407/4885ROCK2 3475/4885
US-20120136006-A1 COLD MENTHOL RECEPTOR ANTAGONISTS TRPV1, TRPM2, TRPM6 PPIB 3094/4885PPIA 4407/4885ROCK2 3475/4885

“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.