SCHEMBL4868790

SCHEMBL4868790

Oc1ccc(SC2CCN(CC3CC3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
GRIN2B Q13224 3/20 0.41
GRIN2A Q12879 1/20 0.41
OPRM1 P35372 1/20 0.40
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
GRIN1 Q05586 2/20 0.38

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
SCHEMBL4872614 0.92 CHRM5 (0.44) CARM1PRMT6GRIN2BGRIN2AOPRM1
SCHEMBL4865285 0.81 CARM1 (0.49) CARM1PRMT6GRIN2BGRIN2AGRIN1
SCHEMBL4874496 0.79 CARM1 (0.51) CARM1PRMT6GRIN2BGRIN2ADRD2
SCHEMBL4874025 0.78 CARM1 (0.43) CARM1PRMT6GRIN2BGRIN2AGRIN1
SCHEMBL4866579 0.78 CARM1 (0.43) CARM1PRMT6GRIN2BGRIN2AGRIN1
SCHEMBL4873467 0.77 CARM1 (0.49) CARM1PRMT6GRIN2BGRIN2ADRD2
SCHEMBL4872002 0.77 ACHE (0.57) CARM1PRMT6GRIN2BGRIN2ADRD2
SCHEMBL11554712 0.76 NR1H2 (0.48) GRIN2BGRIN1
SCHEMBL9406360 0.76 NR1H2 (0.48) GRIN2BGRIN1
SCHEMBL14082390 0.76 CARM1 (0.43) CARM1PRMT6GRIN2BGRIN2ADRD2

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 2 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

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 CARM1 1203/4885PRMT6 592/4885GRIN2B 199/4885

“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.