SCHEMBL4874579

SCHEMBL4874579

CN1CCC(Sc2ccc(N)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
ADRA2C P18825 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44
PTK2B Q14289 1/20 0.44
ESR2 Q92731 1/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
HTR6 P50406 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL12049742 0.83 KMT2A (0.45) KDM4EKMT2AALDH1A1CARM1PRMT6
SCHEMBL30065845 0.82 CYP3A4 (0.48) KDM4EMAPTKMT2AALDH1A1CARM1
SCHEMBL25521257 0.82 CYP3A4 (0.48) KDM4EMAPTKMT2AALDH1A1CARM1
SCHEMBL14081453 0.81 CARM1 (0.43) ALDH1A1CARM1PRMT6SMN1; SMN2MAOA
SCHEMBL18758727 0.81 POLB (0.50) CARM1PRMT6DDB1CRBNPOLB
SCHEMBL14082390 0.81 CARM1 (0.43) MAPTKMT2AALDH1A1CARM1PRMT6
SCHEMBL4864451 0.81 CARM1 (0.61) KDM4EKMT2ACARM1PRMT6SMN1; SMN2
SCHEMBL6120315 0.81 CARM1 (0.37) GAAKDM4EMAPTADRA2CKMT2A
SCHEMBL4494992 0.80 ADRA2C (0.47) GAAKDM4EMAPTADRA2CKMT2A
SCHEMBL14082421 0.78 GAA (0.36) GAAKDM4EMAPTKMT2AALDH1A1

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 6 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-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
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 GAA 3452/4885KDM4E 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.