SCHEMBL6499403

SCHEMBL6499403

O=C1CC(CN2CCC(c3ccccc3)CC2)CCc2c(Cl)cccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.50
SIGMAR1 Q99720 3/20 0.46
CCR5 P51681 2/20 0.43
PARP1 P09874 2/20 0.42
PARP2 Q9UGN5 2/20 0.42
GRM2 Q14416 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRL1 P41146 4/20 0.42
OPRM1 P35372 2/20 0.42
DRD2 P14416 2/20 0.42
SLC18A3 Q16572 1/20 0.42
KCNH2 Q12809 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41

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 SCHEMBL6492550 0.99 HTR7 (0.49) HTR7SIGMAR1CCR5PARP1PARP2
SCHEMBL6502579 0.86 HTR7 (0.52) HTR7SIGMAR1OPRL1OPRM1DRD2
Hydrochloric Acid SCHEMBL6501506 0.85 HTR7 (0.51) HTR7SIGMAR1OPRL1OPRM1DRD2
SCHEMBL6076000 0.84 HTR7 (0.68) HTR7SIGMAR1CCR5OPRL1DRD2
Hydrochloric Acid SCHEMBL6490470 0.83 HTR7 (0.67) HTR7SIGMAR1CCR5OPRL1DRD2
SCHEMBL6491393 0.82 HTR7 (0.71) HTR7SIGMAR1OPRL1DRD2KCNH2
Hydrochloric Acid SCHEMBL6491157 0.81 HTR7 (0.69) HTR7SIGMAR1OPRL1DRD2KCNH2
SCHEMBL6499625 0.80 SPR (0.43) SIGMAR1MEN1KMT2ADRD2KCNH2
SCHEMBL6499369 0.79 HTR7 (0.54) HTR7SIGMAR1CCR5GRM2MEN1
Hydrochloric Acid SCHEMBL6493410 0.78 HTR7 (0.53) HTR7SIGMAR1CCR5GRM2MEN1

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-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-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 HTR7 1189/4885SIGMAR1 50/4885CCR5 206/4885

“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.