SCHEMBL840108

SCHEMBL840108

O=C([C@H](CNc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
CCR3 P51677 2/20 0.43
ADAM17 P78536 9/20 0.43
TRPV1 Q8NER1 1/20 0.42
EPHX2 P34913 2/20 0.41
TACR1 P25103 2/20 0.39
ADAM10 O14672 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL859434 1.00 RIPK1 (0.44) RIPK1CCR3ADAM17TRPV1EPHX2
SCHEMBL840107 1.00 RIPK1 (0.44) RIPK1CCR3ADAM17TRPV1EPHX2
SCHEMBL840832 0.88 ADAM17 (0.45) CCR3ADAM17TRPV1
SCHEMBL9289728 0.87 RIPK1 (0.46) RIPK1ADAM17EPHX2ADAM10MMP1
SCHEMBL9288425 0.87 RIPK1 (0.46) RIPK1ADAM17EPHX2ADAM10MMP1
SCHEMBL840847 0.81 RIPK1 (0.51) RIPK1ADAM17EPHX2ADAM10MMP1
SCHEMBL840981 0.80 RIPK1 (0.50) RIPK1ADAM17EPHX2
SCHEMBL16116406 0.80 ADAM17 (0.43) RIPK1CCR3ADAM17
SCHEMBL841174 0.76 RIPK1 (0.49) RIPK1ADAM17
SCHEMBL839487 0.75 LDHA (0.55) TACR1

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 4 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-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 (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-20100048589-A1 Cold Menthol Receptor Antagonists TRPV1, TRPM2, TRPM6 RIPK1 3006/4885CCR3 277/4885ADAM17 4368/4885

“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.