SCHEMBL6502218

SCHEMBL6502218

c1ccc(C2CCN(CC3Cc4ccccc4C3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.65
GRIN2B Q13224 2/20 0.58
HTR1A P08908 2/20 0.55
SLC18A3 Q16572 5/20 0.54
DRD2 P14416 1/20 0.54
OPRL1 P41146 1/20 0.53
KCNH2 Q12809 1/20 0.53
CCR5 P51681 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HRH1 P35367 1/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 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
Hydrochloric Acid SCHEMBL6489394 0.98 SIGMAR1 (0.63) SIGMAR1GRIN2BHTR1ASLC18A3DRD2
SCHEMBL6075108 0.91 SIGMAR1 (0.68) SIGMAR1GRIN2BHTR1ASLC18A3DRD2
Hydrochloric Acid SCHEMBL6492780 0.90 SIGMAR1 (0.67) SIGMAR1GRIN2BHTR1ASLC18A3DRD2
SCHEMBL6081319 0.87 SIGMAR1 (0.73) SIGMAR1SLC18A3DRD2OPRL1KCNH2
SCHEMBL6492495 0.87 SIGMAR1 (0.73) SIGMAR1SLC18A3DRD2OPRL1KCNH2
SCHEMBL6493040 0.87 SIGMAR1 (0.73) SIGMAR1SLC18A3DRD2OPRL1KCNH2
SCHEMBL10268327 0.86 SLC18A3 (0.61) SIGMAR1GRIN2BSLC18A3DRD2OPRL1
Hydrochloric Acid SCHEMBL6489371 0.86 SIGMAR1 (0.71) SIGMAR1SLC18A3DRD2OPRL1KCNH2
Hydrochloric Acid SCHEMBL6491487 0.86 SIGMAR1 (0.71) SIGMAR1SLC18A3DRD2OPRL1KCNH2
Hydrochloric Acid SCHEMBL6489373 0.86 SIGMAR1 (0.71) SIGMAR1SLC18A3DRD2OPRL1KCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US claimed
EP-1129072-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-05 EP claimed
WO-2000027815-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS SMITHKLINE BEECHAM SPA (IT) 2000-05-18 WO claimed
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US disclosed
EP-1129072-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-05 EP disclosed
WO-2000027815-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS SMITHKLINE BEECHAM SPA (IT) 2000-05-18 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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 SIGMAR1 50/4885GRIN2B 1528/4885HTR1A 476/4885

“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.