SCHEMBL6504367

SCHEMBL6504367

O=C1CC(CN2CCC(c3ccccc3O)CC2)CCc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.72
OPRL1 P41146 6/20 0.55
SIGMAR1 Q99720 6/20 0.51
DRD2 P14416 5/20 0.47
HTR2A P28223 5/20 0.47
HTR2C P28335 5/20 0.47
HTR2B P41595 1/20 0.46
HTR1A P08908 3/20 0.44
KCNH2 Q12809 4/20 0.43

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 SCHEMBL6500406 0.99 HTR7 (0.70) HTR7OPRL1SIGMAR1DRD2HTR2A
SCHEMBL6491393 0.84 HTR7 (0.71) HTR7OPRL1SIGMAR1DRD2HTR2A
SCHEMBL6492092 0.84 HTR7 (1.00) HTR7OPRL1SIGMAR1DRD2HTR2A
Hydrochloric Acid SCHEMBL6491157 0.83 HTR7 (0.69) HTR7OPRL1SIGMAR1DRD2HTR2A
Hydrochloric Acid SCHEMBL6490630 0.83 HTR7 (0.98) HTR7OPRL1SIGMAR1DRD2HTR2A
SCHEMBL6494213 0.78 OPRL1 (0.58) HTR7OPRL1SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL6490983 0.77 OPRL1 (0.57) HTR7OPRL1SIGMAR1KCNH2
SCHEMBL6081319 0.74 SIGMAR1 (0.73) HTR7OPRL1SIGMAR1DRD2HTR2A
SCHEMBL6492495 0.74 SIGMAR1 (0.73) HTR7OPRL1SIGMAR1DRD2HTR2A
SCHEMBL6493040 0.74 SIGMAR1 (0.73) HTR7OPRL1SIGMAR1DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US claimed
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-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 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 (3 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR7 3/4885OPRL1 19/4885SIGMAR1 121/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR7 3/4885OPRL1 19/4885SIGMAR1 121/4885
US-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 HTR7 1189/4885OPRL1 9/4885SIGMAR1 50/4885

“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.