SCHEMBL17767983

SCHEMBL17767983

O=C(Nc1cccc(OCCOC2CCCCO2)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)c(Cl)cc2N2CC[C@H]1C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 1/20 0.34
▸ TRPV4 Q9HBA0 9/20 0.33
▸ MCHR1 Q99705 2/20 0.33
▸ TACR2 P21452 1/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32

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
SCHEMBL17778793 0.97 TRPV4 (0.34) NPY2RTRPV4MCHR1TACR2TACR3
SCHEMBL17767948 0.97 TRPV4 (0.34) NPY2RTRPV4MCHR1TACR2TACR3
SCHEMBL17778226 0.93 ALDH1A1 (0.33) NPY2RTRPV4MCHR1TACR2TACR3
SCHEMBL17778687 0.92 NPY2R (0.33) NPY2RTRPV4MCHR1TACR2TACR3
SCHEMBL17768269 0.92 NPY2R (0.33) NPY2RTRPV4MCHR1TACR2TACR3
SCHEMBL17778754 0.89 RPS6KB1 (0.34) NPY2RTRPV4TACR2TACR3KCNH2
SCHEMBL17768090 0.89 RPS6KB1 (0.34) NPY2RTRPV4TACR2TACR3KCNH2
SCHEMBL19689804 0.89 ALDH1A1 (0.37) NPY2RTRPV4KCNH2KDM4EALDH1A1
SCHEMBL17768001 0.88 ALDH1A1 (0.36) NPY2RTRPV4TACR2TACR3KCNH2
SCHEMBL17768197 0.86 KIF18A (0.39) NPY2RTRPV4TACR2TACR3KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
EP-3221316-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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 (1 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPY2R 1991/4885TRPV4 4364/4885MCHR1 4119/4885

“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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