SCHEMBL840977

SCHEMBL840977

COC(=O)C(N)(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.53
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
CFTR P13569 1/20 0.43
KIF11 P52732 2/20 0.42
BACE1 P56817 1/20 0.42
POLB P06746 1/20 0.42
PTGS1 P23219 2/20 0.42
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
SRC P12931 1/20 0.41
EPHX2 P34913 1/20 0.41

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
Hydrochloric Acid SCHEMBL7148002 0.88 KCNN4 (0.62) KCNN4RAB9AALDH1A1NPC1TSHR
SCHEMBL2482090 0.83 KCNN4 (0.53) KCNN4RAB9AALDH1A1NPC1KIF11
SCHEMBL2487798 0.83 MAPT (0.46) ALDH1A1TSHRMAPK1KIF11POLB
SCHEMBL28012260 0.80 ALDH1A1 (0.56) KCNN4RAB9AALDH1A1NPC1TSHR
SCHEMBL10334581 0.80 KCNN4 (0.53) KCNN4RAB9AALDH1A1NPC1TSHR
SCHEMBL2482101 0.80 KCNN4 (0.53) KCNN4RAB9ANPC1KIF11POLB
Hydrochloric Acid SCHEMBL27841052 0.79 ALDH1A1 (0.54) KCNN4RAB9AALDH1A1NPC1TSHR
SCHEMBL27506829 0.78 KCNN4 (0.64) KCNN4RAB9AALDH1A1NPC1TSHR
SCHEMBL2487571 0.78 KCNN4 (0.51) KCNN4RAB9AALDH1A1NPC1MAPK1
SCHEMBL506922 0.74 KCNN4 (0.64) KCNN4RAB9AALDH1A1NPC1TSHR

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 5 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-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-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 KCNN4 1168/4885RAB9A 1607/4885ALDH1A1 1175/4885
US-20120136006-A1 COLD MENTHOL RECEPTOR ANTAGONISTS TRPV1, TRPM2, TRPM6 KCNN4 1168/4885RAB9A 1607/4885ALDH1A1 1175/4885

“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.