SCHEMBL21849198

SCHEMBL21849198

CC(C)(C)c1ccccc1-n1cc(C(F)(F)F)nn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.43
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ AR P10275 3/20 0.40
▸ APP P05067 1/20 0.38
▸ AMY1A P0DUB6 1/20 0.38
▸ RXRA P19793 3/20 0.37
▸ GRIN1 Q05586 3/20 0.37
▸ GRIN2B Q13224 3/20 0.37
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ NOTUM Q6P988 3/20 0.35
▸ CFTR P13569 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ GSK3B P49841 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
SCHEMBL18367585 0.88 TRPV1 (0.49) TRPV1GABRA2GABRB2ARAPP
SCHEMBL21849514 0.85 TRPV1 (0.43) TRPV1GABRA2GABRB2ARAPP
SCHEMBL28329509 0.85 NOTUM (0.41) TRPV1GABRA2GABRB2ARRXRA
SCHEMBL26031187 0.81 FLT3 (0.53) TRPV1GABRA2GABRB2ARRXRA
SCHEMBL21863517 0.78 ALDH1A1 (0.41) TRPV1GABRA2GABRB2ARAPP
SCHEMBL26028892 0.76 NPC1 (0.42) HSD11B1
SCHEMBL18377889 0.74 NOTUM (0.52) TRPV1APPAMY1ARXRAGRIN1
SCHEMBL13145592 0.74 NOTUM (0.54) TRPV1GABRA2GABRB2RXRAGRIN1
SCHEMBL28600542 0.74 P2RX7 (0.38) TRPV1GABRA2GABRB2ARAMY1A
SCHEMBL21816177 0.73 MYC (0.46) NOTUM

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-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 — — US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TRPV1 1657/4885GABRA2 877/4885GABRB2 430/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TRPV1 1657/4885GABRA2 877/4885GABRB2 430/4885

“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.

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