SCHEMBL6493040

SCHEMBL6493040

O=C1C[C@H](CN2CCC(c3ccccc3)CC2)Cc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.73
HTR2A P28223 7/20 0.60
DRD2 P14416 5/20 0.60
HTR2C P28335 4/20 0.60
HTR7 P34969 2/20 0.57
ACHE P22303 1/20 0.47
OPRL1 P41146 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC18A3 Q16572 2/20 0.46
CYP19A1 P11511 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
SCHEMBL6492495 1.00 SIGMAR1 (0.73) SIGMAR1HTR2ADRD2HTR2CHTR7
SCHEMBL6081319 1.00 SIGMAR1 (0.73) SIGMAR1HTR2ADRD2HTR2CHTR7
Hydrochloric Acid SCHEMBL6489371 0.99 SIGMAR1 (0.71) SIGMAR1HTR2ADRD2HTR2CHTR7
Hydrochloric Acid SCHEMBL6489373 0.99 SIGMAR1 (0.71) SIGMAR1HTR2ADRD2HTR2CHTR7
Hydrochloric Acid SCHEMBL6491487 0.99 SIGMAR1 (0.71) SIGMAR1HTR2ADRD2HTR2CHTR7
SCHEMBL6491393 0.90 HTR7 (0.71) SIGMAR1HTR2ADRD2HTR2CHTR7
Hydrochloric Acid SCHEMBL6491157 0.88 HTR7 (0.69) SIGMAR1HTR2ADRD2HTR2CHTR7
SCHEMBL6502218 0.87 SIGMAR1 (0.65) SIGMAR1HTR2ADRD2HTR2COPRL1
Hydrochloric Acid SCHEMBL6489394 0.86 SIGMAR1 (0.63) SIGMAR1HTR2ADRD2HTR2COPRL1
SCHEMBL6501924 0.85 HTR2A (0.61) SIGMAR1HTR2ADRD2HTR2CHTR7

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 50/4885HTR2A 1914/4885DRD2 1194/4885

“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.