SCHEMBL4874962

SCHEMBL4874962

Sc1ccnc(N2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.54
CXCR4 P61073 1/20 0.44
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM3 P20309 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
LRRK2 Q5S007 4/20 0.40
PRKD3 O94806 1/20 0.39
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP1A2 P05177 1/20 0.39
CNR2 P34972 2/20 0.39
PIK3CA P42336 1/20 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
SCHEMBL17787658 0.98 HRH4 (0.51) HRH4CXCR4TSHRNPC1RECQL
SCHEMBL11962824 0.77 HRH4 (0.58) HRH4TSHRNPC1RECQLRAB9A
SCHEMBL30988524 0.77 GRIN2D (0.55) HRH4CXCR4TSHRNPC1RECQL
SCHEMBL20197188 0.77 HRH4 (0.54) HRH4CXCR4TSHRNPC1RECQL
SCHEMBL19027125 0.77 HRH4 (0.54) HRH4TSHRNPC1RECQLRAB9A
SCHEMBL24405849 0.77 HRH4 (0.54) HRH4CXCR4TSHRNPC1RECQL
SCHEMBL17095658 0.77 GRIN2D (0.55) HRH4CXCR4TSHRNPC1RECQL
SCHEMBL22045136 0.74 HRH4 (0.51) HRH4TSHRNPC1RECQLRAB9A
SCHEMBL12654054 0.74 HRH4 (0.51) HRH4CXCR4TSHRNPC1RECQL
SCHEMBL789776 0.74 HRH4 (0.51) HRH4CXCR4TSHRNPC1RECQL

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 HRH4 71/4885CXCR4 555/4885TSHR 55/4885

“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.