SCHEMBL19703381

SCHEMBL19703381

Nc1ccc(-c2cccc(Cl)c2)nc1N(C(=O)Nc1ccncn1)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 8/20 0.42
▸ CNR2 P34972 3/20 0.42
▸ MPL P40238 1/20 0.42
▸ MCHR1 Q99705 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ ATR Q13535 2/20 0.36
▸ KMO O15229 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAP4K4 O95819 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
SCHEMBL19365710 0.90 CNR2 (0.52) GRM5CNR2MCHR1ALDH1A1ATR
SCHEMBL19365852 0.88 MPL (0.41) GRM5CNR2MPLALDH1A1CHRNB2
SCHEMBL19670421 0.88 MPL (0.44) MPLMCHR1ALDH1A1CHRNB2CHRNB4
SCHEMBL19365606 0.87 ATR (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL19364806 0.87 CNR2 (0.43) GRM5CNR2MCHR1ATRMEN1
SCHEMBL19365569 0.87 MCHR1 (0.41) GRM5MCHR1ATR
SCHEMBL19706193 0.85 CNR2 (0.40) GRM5CNR2MCHR1ALDH1A1ATR
SCHEMBL19365311 0.84 CNR2 (0.39) GRM5CNR2MCHR1ATRMAP4K4
SCHEMBL19670413 0.83 ATR (0.43) ATR
SCHEMBL19365310 0.83 TSHR (0.45) GRM5CNR2MCHR1ATRMAPT

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 GRM5 3471/4885CNR2 2514/4885MPL 3547/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GRM5 3471/4885CNR2 2514/4885MPL 3547/4885

“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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