SCHEMBL19689650

SCHEMBL19689650

O=C(Nc1cncc(OCCCO)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ LIPG Q9Y5X9 4/20 0.34
▸ RPS6KB1 P23443 6/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ AKT1 P31749 2/20 0.33
▸ KMO O15229 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ BTK Q06187 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
▸ SCD O00767 1/20 0.33

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
SCHEMBL17778738 0.97 LIPG (0.36) GPR52KCNH2LIPGRPS6KB1KDM1A
SCHEMBL19706665 0.92 GPR52 (0.40) GPR52KCNH2LIPGRPS6KB1CA2
SCHEMBL17768071 0.92 GPR52 (0.40) GPR52KCNH2LIPGRPS6KB1CA2
SCHEMBL16754334 0.90 RAF1 (0.36) KCNH2LIPGRPS6KB1KDM1AMAOA
SCHEMBL16754361 0.90 RAF1 (0.36) KCNH2LIPGRPS6KB1KDM1AMAOA
SCHEMBL16754360 0.90 RAF1 (0.36) KCNH2LIPGRPS6KB1KDM1AMAOA
SCHEMBL17768097 0.90 KDM1A (0.34) KCNH2LIPGRPS6KB1KDM1AMAOA
SCHEMBL19706655 0.90 KDM1A (0.34) KCNH2LIPGRPS6KB1KDM1AMAOA
SCHEMBL17778685 0.90 RPS6KB1 (0.33) LIPGRPS6KB1KDM1AMAOAMAOB
SCHEMBL19689668 0.89 GPR52 (0.41) GPR52KCNH2LIPGRPS6KB1CA2

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-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

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 GPR52 3910/4885KCNH2 4064/4885LIPG 441/4885

“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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