SCHEMBL16397920

SCHEMBL16397920

Clc1nc(COCC2CC2)cc(N2CCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ CASP1 P29466 3/20 0.34
▸ CASP5 P51878 3/20 0.34
▸ CASP4 P49662 2/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ LMNA P02545 2/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL16398129 0.78 TACR1 (0.39) MAPTCASP1CASP5CASP4HRH4
SCHEMBL16398008 0.78 HTR2A (0.34) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL16398389 0.72 HTR2A (0.34) HTR2AHTR2CHTR2BLMNA
SCHEMBL16398173 0.72 HTR2A (0.36) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL2179434 0.71 KDM4C (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1748520 0.70 CYP1A2 (0.47) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL2179648 0.70 GBA1 (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL9163278 0.68 CASP1 (0.53) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL16398386 0.68 HTR2A (0.31) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL2771738 0.67 CYP1A2 (0.47) CHRM3PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004079-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS ACTURUM REAL ESTATE AB (SE) 2018-01-17 — — EP disclosed
EP-3004079-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS ACTURUM REAL ESTATE AB (SE) 2018-01-17 — — EP disclosed
US-9439904-B2 Pyrimidine compounds and their use as gamma secretase modulators Acturum Life Science AB (SE) 2016-09-13 — — US disclosed
US-9439904-B2 Pyrimidine compounds and their use as gamma secretase modulators Acturum Life Science AB (SE) 2016-09-13 — — US disclosed
US-9439904-B2 Pyrimidine compounds and their use as gamma secretase modulators Acturum Life Science AB (SE) 2016-09-13 — — US disclosed
US-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-05-12 — — US disclosed
US-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-05-12 — — US disclosed
US-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-05-12 — — US disclosed
EP-3004079-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-04-13 — — EP disclosed
WO-2014195323-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2014-12-11 — — 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-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APP CHRM3 2561/4885PDE4A 847/4885PDE4B 977/4885

“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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