SCHEMBL21849514

SCHEMBL21849514

CCC(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
▸ APP P05067 1/20 0.40
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ AMY1A P0DUB6 1/20 0.38
▸ AR P10275 3/20 0.37
▸ NOTUM Q6P988 3/20 0.35
▸ RXRA P19793 2/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ CFTR P13569 1/20 0.32
▸ DDX3X O00571 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32

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
SCHEMBL21849198 0.85 TRPV1 (0.43) TRPV1APPGABRA2GABRB2AMY1A
SCHEMBL18367585 0.82 TRPV1 (0.49) TRPV1APPGABRA2GABRB2AMY1A
SCHEMBL28329509 0.80 NOTUM (0.41) TRPV1GABRA2GABRB2ARNOTUM
SCHEMBL21863517 0.80 ALDH1A1 (0.41) TRPV1APPGABRA2GABRB2AMY1A
SCHEMBL26031187 0.76 FLT3 (0.53) TRPV1GABRA2GABRB2ARNOTUM
SCHEMBL19732301 0.72 TRPV1 (0.61) TRPV1APPAMY1ANOTUMRXRA
SCHEMBL13145592 0.70 NOTUM (0.54) TRPV1GABRA2GABRB2NOTUMRXRA
SCHEMBL25523346 0.70 NOTUM (0.47) APPNOTUMCA1CA2CA5A
SCHEMBL18377889 0.70 NOTUM (0.52) TRPV1APPAMY1ANOTUMRXRA
SCHEMBL28600542 0.70 P2RX7 (0.38) TRPV1GABRA2GABRB2AMY1AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TRPV1 1657/4885APP 3468/4885GABRA2 877/4885

“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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