SCHEMBL17618446

SCHEMBL17618446

O=C(Nc1ccc(F)cn1)N1c2nc(-c3cccc(Cl)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.42
▸ CNR1 P21554 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ DEGS1 O15121 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ ITK Q08881 1/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 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
SCHEMBL17618376 0.96 GRM5 (0.39) GRM5CNR1MAPTCNR2
SCHEMBL17618499 0.96 GRM5 (0.39) GRM5CNR1MAPTCNR2
SCHEMBL17618628 0.90 CYP3A4 (0.37) GRM5DEGS1HCRTR1
SCHEMBL17618369 0.89 IDH2 (0.39) MAPTHCRTR1LMNA
SCHEMBL17618614 0.89 CNR2 (0.49) GRM5CNR1MAPTCNR2LMNA
SCHEMBL17618391 0.88 SCD (0.41) DEGS1
SCHEMBL17618533 0.88 CNR1 (0.36) GRM5CNR1DEGS1HCRTR1ITK
SCHEMBL17618515 0.88 HDAC2 (0.42) —
SCHEMBL19365286 0.88 CNR1 (0.36) GRM5CNR1DEGS1HCRTR1ITK
SCHEMBL17618620 0.88 CNR1 (0.36) GRM5CNR1DEGS1HCRTR1ITK

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 9 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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 4062/4885CNR1 3355/4885MAPT 303/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 3471/4885CNR1 2946/4885MAPT 267/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GRM5 3471/4885CNR1 2946/4885MAPT 267/4885

“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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