SCHEMBL19699041

SCHEMBL19699041

O=C(Nc1ccccc1F)N1c2nc(-c3cccc(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ TRPV1 Q8NER1 2/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ GRM5 P41594 2/20 0.37
▸ KCNK3 O14649 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ CNR2 P34972 4/20 0.36
▸ FPR1 P21462 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ CNR1 P21554 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYBB P04839 1/20 0.36

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
SCHEMBL17618360 0.90 GRM5 (0.37) MAPTTRPV1RAB9ASMN1; SMN2GRM5
SCHEMBL17618645 0.85 GRM5 (0.40) TRPV1GRM5CNR1
SCHEMBL16238427 0.84 CNR2 (0.51) RAB9ASMN1; SMN2FAAHGRM5CNR2
SCHEMBL17618437 0.84 CNR2 (0.39) MAPTRAB9ASMN1; SMN2FAAHGRM5
SCHEMBL17618432 0.84 CNR1 (0.36) MAPTRAB9ASMN1; SMN2FAAHGRM5
SCHEMBL17618499 0.84 GRM5 (0.39) MAPTRAB9ASMN1; SMN2GRM5CNR2
SCHEMBL17618507 0.84 CNR1 (0.36) MAPTRAB9ASMN1; SMN2FAAHGRM5
SCHEMBL19670176 0.84 CNR1 (0.36) MAPTRAB9ASMN1; SMN2FAAHGRM5
SCHEMBL17618376 0.84 GRM5 (0.39) MAPTRAB9ASMN1; SMN2GRM5CNR2
SCHEMBL17618377 0.83 GRM5 (0.38) MAPTRAB9ASMN1; SMN2GRM5MEN1

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 3 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
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 MAPT 267/4885PTPN11 4207/4885TRPV1 3670/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAPT 267/4885PTPN11 4207/4885TRPV1 3670/4885

“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.

Send feedback