SCHEMBL19365710

SCHEMBL19365710

Nc1ccc(-c2cccc(Cl)c2)nc1N(C(=O)Nc1ccccn1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.46
▸ GRM5 P41594 5/20 0.42
▸ LMNA P02545 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ ATR Q13535 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ KMO O15229 1/20 0.37

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
SCHEMBL19703381 0.90 GRM5 (0.42) CNR2ALDH1A1GRM5MCHR1ATR
SCHEMBL19365309 0.90 CNR2 (0.40) CNR2ALDH1A1GRM5LMNAKDM4E
SCHEMBL19706193 0.88 CNR2 (0.40) CNR2ALDH1A1GRM5MCHR1ATR
SCHEMBL19365839 0.88 CNR2 (0.51) CNR2ALDH1A1GRM5ADORA2AADORA1
SCHEMBL19365577 0.88 GRM5 (0.38) CNR2ALDH1A1GRM5ATR
SCHEMBL19670601 0.88 POLB (0.41) CNR2ALDH1A1MCHR1KMO
SCHEMBL19364891 0.87 MCHR1 (0.42) CNR2ALDH1A1GRM5ADORA2AADORA1
SCHEMBL21841343 0.87 KMO (0.41) CNR2ALDH1A1MCHR1KMO
SCHEMBL19364806 0.86 CNR2 (0.43) CNR2GRM5MCHR1ATRCNR1
SCHEMBL19365441 0.86 ATR (0.48) LMNAATR

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-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 CNR2 2514/4885ALDH1A1 1726/4885GRM5 3471/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR2 2514/4885ALDH1A1 1726/4885GRM5 3471/4885

“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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