SCHEMBL17768271

SCHEMBL17768271

Cc1cccc(-c2ccc3c(n2)N[C@H]2CCN3C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.39
▸ SLC9A1 P19634 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ NISCH Q9Y2I1 1/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ CDC25C P30307 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ KDM5A P29375 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
SCHEMBL16238522 0.86 GAK (0.41) SLC9A1HPGDHTR1AHTR1DHTR2A
SCHEMBL16238679 0.85 HSD17B10 (0.47) MTORSLC9A1HPGDKMT2APDE10A
SCHEMBL19699628 0.85 CHRNB2 (0.36) PDE10A
SCHEMBL16238735 0.83 KDM1A (0.43) HPGDKMT2APDE10AIDO1KDM4E
SCHEMBL17778248 0.83 KDM1A (0.43) HPGDKMT2APDE10AIDO1KDM4E
SCHEMBL16754655 0.83 KDM1A (0.43) HPGDKMT2APDE10AIDO1KDM4E
SCHEMBL16239247 0.82 USP30 (0.40) PDE10A
SCHEMBL17768048 0.82 USP30 (0.40) PDE10A
SCHEMBL16754650 0.82 USP30 (0.40) PDE10A
SCHEMBL17778807 0.81 KDM1A (0.35) HPGDKMT2APDE10AKDM4ELMNA

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
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 MTOR 395/4885SLC9A1 1946/4885HPGD 229/4885

“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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