SCHEMBL19365266

SCHEMBL19365266

CN1CCCN(C(=O)Nc2cccc(C3(C(F)(F)F)NN3)c2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RAF1 P04049 2/20 0.38
▸ BRAF P15056 1/20 0.38
▸ FYN P06241 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GOT1 P17174 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 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
SCHEMBL17623988 0.91 NPC1 (0.37) GRIN2BNPC1SMN1; SMN2RAF1BRAF
SCHEMBL16776084 0.89 GRIN2B (0.38) GRIN2BNPC1SMN1; SMN2FYNRIPK1
SCHEMBL16785639 0.86 NPC1 (0.39) GRIN2BNPC1SMN1; SMN2RAF1BRAF
SCHEMBL19669976 0.84 HTR2A (0.52) NPC1SMN1; SMN2FYNRIPK1CA2
SCHEMBL19670654 0.83 CA2 (0.42) NPC1SMN1; SMN2FYNCA2CA9
SCHEMBL19365537 0.82 CA2 (0.43) NPC1SMN1; SMN2RIPK1CA2CA9
SCHEMBL19365248 0.82 MCHR1 (0.41) NPC1FYNMAPT
SCHEMBL20632523 0.81 ADORA2A (0.37) NPC1SMN1; SMN2FYNCA2CA9
SCHEMBL19365423 0.81 MCHR1 (0.44) GRIN2BNPC1SMN1; SMN2MAPTLMNA
SCHEMBL19364921 0.81 KIF18A (0.38) GRIN2BNPC1SMN1; SMN2RAF1BRAF

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 4 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-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

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 GRIN2B 4510/4885NPC1 3380/4885SMN1; SMN2 2122/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GRIN2B 4510/4885NPC1 3380/4885SMN1; SMN2 2122/4885

“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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