SCHEMBL4873667

SCHEMBL4873667

CN1CCC(Sc2c(Cl)cc(N)cc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
RAD52 P43351 1/20 0.41
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 2/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
POLB P06746 2/20 0.33
HTR4 Q13639 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
THRB P10828 1/20 0.31
ALOX15 P16050 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
SCHEMBL5634824 0.78 SLC6A2 (0.38) GAAHTR4ALOX15
SCHEMBL4865178 0.77 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBNOS3NOS1
SCHEMBL4874445 0.73 POLB (0.36) KDM4EMAPTRAD52ALDH1A1HTT
SCHEMBL4504980 0.71 CARM1 (0.35) ALDH1A1GAASMN1; SMN2HTR1DHTR1B
SCHEMBL4874579 0.70 GAA (0.44) KDM4EMAPTRAD52ALDH1A1GAA
SCHEMBL4869835 0.70 POLB (0.45) ALDH1A1SMN1; SMN2CYP3A4POLBNOS3
SCHEMBL4874420 0.69 POLB (0.31) KDM4EMAPTRAD52POLBHTR4
SCHEMBL4494992 0.69 ADRA2C (0.47) KDM4EMAPTRAD52GAASMN1; SMN2
SCHEMBL31203012 0.68 HTR1D (0.40) KDM4EMAPTRAD52ALDH1A1GAA
SCHEMBL4873755 0.68 HTR1F (0.38) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 US disclosed
EP-1467986-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-10-20 EP disclosed
WO-2003062224-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 KDM4E 1553/4885MAPT 3850/4885RAD52 3096/4885

“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.