SCHEMBL19186342

SCHEMBL19186342

COc1cnc(-c2ccccn2)nc1N[C@H](C)C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 11/20 1.00
L3MBTL1 Q9Y468 8/20 0.81
SMN1; SMN2 Q16637 7/20 0.81
LMNA P02545 5/20 0.81
MAPT P10636 3/20 0.81
MITF O75030 1/20 0.81
KDM4E B2RXH2 2/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 3/20 0.52
PPP1CA P62136 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL1699152 1.00 TRPM8 (1.00) TRPM8L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL30532222 1.00 TRPM8 (1.00) TRPM8L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL19186612 1.00 TRPM8 (1.00) TRPM8L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL1701097 0.90 TRPM8 (1.00) TRPM8L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL29968698 0.90 TRPM8 (1.00) TRPM8L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL13471386 0.85 TRPM8 (1.00) TRPM8L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL10270352 0.85 TRPM8 (1.00) TRPM8L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL19186401 0.85 TRPM8 (1.00) TRPM8L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL13471436 0.84 TRPM8 (1.00) TRPM8L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL19186327 0.84 TRPM8 (1.00) TRPM8L3MBTL1SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093997-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2018-04-05 US disclosed
US-9718839-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2017-08-01 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-20180093997-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM2 TRPM8 1/4885L3MBTL1 4788/4885SMN1; SMN2 4426/4885

“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.