SCHEMBL4870804

SCHEMBL4870804

Oc1ccc(SC2CCN(CCc3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
ACHE P22303 1/20 0.54
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
CCR3 P51677 1/20 0.52
HTR2A P28223 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
HTR2C P28335 1/20 0.50

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
SCHEMBL7025586 0.86 HTR2A (0.52) GRIN2BHTR2AHTR2C
SCHEMBL4872002 0.86 ACHE (0.57) GRIN2AGRIN2BACHECARM1PRMT6
SCHEMBL6875117 0.84 SIGMAR1 (0.49) GRIN2AGRIN2B
SCHEMBL6875081 0.83 SIGMAR1 (0.50) GRIN2BCCR3CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6873860 0.83 SIGMAR1 (0.48) GRIN2AGRIN2B
SCHEMBL6880262 0.83 SIGMAR1 (0.50) GRIN2BCCR3CYP1A2CYP3A4CYP2D6
SCHEMBL6874312 0.83 SIGMAR1 (0.50) GRIN2BCCR3CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6884566 0.82 SIGMAR1 (0.49) GRIN2BCCR3CYP1A2CYP3A4CYP2D6
SCHEMBL4865285 0.81 CARM1 (0.49) GRIN2AGRIN2BCARM1PRMT6
SCHEMBL7032512 0.81 CARM1 (0.57) ACHECARM1PRMT6HTR2AHTR2C

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 GRIN2A 204/4885GRIN2B 199/4885ACHE 25/4885

“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.