SCHEMBL4874445

SCHEMBL4874445

CN1CCC(Sc2ccc(N)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
RAD52 P43351 1/20 0.36
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
HTR4 Q13639 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
DRD2 P14416 2/20 0.34
HTR7 P34969 2/20 0.34
HTR6 P50406 2/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
PTK2B Q14289 1/20 0.33
LRRK2 Q5S007 1/20 0.33
HTR2A P28223 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
SCHEMBL14082421 0.83 GAA (0.36) POLBKDM4EMAPTRAD52CYP3A4
SCHEMBL18758727 0.77 POLB (0.50) POLBCARM1PRMT6HTR2A
SCHEMBL4874579 0.77 GAA (0.44) POLBKDM4EMAPTRAD52CYP3A4
SCHEMBL4869835 0.76 POLB (0.45) POLBCYP3A4TSHRDRD2HTR7
SCHEMBL4494992 0.75 ADRA2C (0.47) POLBKDM4EMAPTRAD52CYP3A4
SCHEMBL4873667 0.73 KDM4E (0.41) POLBKDM4EMAPTRAD52CYP3A4
SCHEMBL12049742 0.72 KMT2A (0.45) KDM4ECARM1PRMT6ALDH1A1HTR2A
SCHEMBL14082435 0.71 KDM4E (0.42) KDM4ECARM1PRMT6DRD2GAA
SCHEMBL4874452 0.71 POLB (0.32) POLBGAASMN1; SMN2
SCHEMBL14081453 0.70 CARM1 (0.43) POLBCARM1PRMT6ALDH1A1SMN1; 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 POLB 3514/4885KDM4E 1553/4885MAPT 3850/4885

“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.