SCHEMBL6489874

SCHEMBL6489874

OC1CC(CN2CCC(c3ccccc3)CC2)Cc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.58
KCNH2 Q12809 5/20 0.58
SLC18A3 Q16572 5/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HRH1 P35367 2/20 0.50
GRIN2B Q13224 1/20 0.47
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL6492943 0.89 OPRL1 (0.70) OPRL1KCNH2SLC18A3HTR2AHTR2C
SCHEMBL6491806 0.89 OPRL1 (0.70) OPRL1KCNH2SLC18A3HTR2AHTR2C
SCHEMBL6490539 0.89 OPRL1 (0.70) OPRL1KCNH2SLC18A3HTR2AHTR2C
SCHEMBL6490537 0.89 OPRL1 (0.70) OPRL1KCNH2SLC18A3HTR2AHTR2C
Hydrochloric Acid SCHEMBL6493150 0.88 OPRL1 (0.69) OPRL1KCNH2SLC18A3HTR2AHTR2C
Hydrochloric Acid SCHEMBL6493144 0.88 OPRL1 (0.69) OPRL1KCNH2SLC18A3HTR2AHTR2C
SCHEMBL6502218 0.82 SIGMAR1 (0.65) OPRL1KCNH2SLC18A3HTR2AHTR2C
Hydrochloric Acid SCHEMBL6489394 0.81 SIGMAR1 (0.63) OPRL1KCNH2SLC18A3HTR2AHTR2C
SCHEMBL6489330 0.80 OPRL1 (0.59) OPRL1KCNH2HTR2AHTR2CHRH1
Hydrochloric Acid SCHEMBL6492474 0.79 OPRL1 (0.58) OPRL1KCNH2SIGMAR1

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 8 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-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 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 (2 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 OPRL1 9/4885KCNH2 706/4885SLC18A3 2454/4885
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 OPRL1 4351/4885KCNH2 3900/4885SLC18A3 4507/4885

“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.