SCHEMBL19706095

SCHEMBL19706095

OC(Nc1cccc(CN2CCNCC2)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 2/20 0.41
▸ CNR2 P34972 11/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ IDH2 P48735 3/20 0.38
▸ APP P05067 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ SOS1 Q07889 1/20 0.35

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
SCHEMBL16249963 0.84 CHRM3 (0.45) CHRM3CNR2CNR1TRPV4
SCHEMBL19365803 0.82 MAPK13 (0.46) IDH2
Trifluoroacetic Acid SCHEMBL16238254 0.82 FAAH (0.43) CHRM3CNR2TRPV4
SCHEMBL19364920 0.82 IDH2 (0.40) IDH2APP
SCHEMBL19865068 0.81 CHRM3 (0.46) CHRM3CNR2CNR1TRPV4HTR6
SCHEMBL19706975 0.80 IDH2 (0.36) IDH2
SCHEMBL19706685 0.80 IDH2 (0.41) CNR2CNR1IDH2
SCHEMBL19706053 0.79 IDH2 (0.39) CNR2IDH2
SCHEMBL19706045 0.78 IDH2 (0.35) CNR2IDH2
SCHEMBL19706914 0.78 IDH2 (0.38) CNR2CNR1IDH2

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CHRM3 4183/4885CNR2 2514/4885CNR1 2946/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CHRM3 4183/4885CNR2 2514/4885CNR1 2946/4885

“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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