SCHEMBL6489774

SCHEMBL6489774

COc1cccc2c1CCC(C)(CN1CCC(c3ccccc3)CC1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.43
CCR5 P51681 1/20 0.42
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
CYP19A1 P11511 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DRD2 P14416 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SLC18A3 Q16572 1/20 0.38

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
SCHEMBL6493159 0.79 SIGMAR1 (0.47) CCR5SIGMAR1DRD2
SCHEMBL6502613 0.76 CYP19A1 (0.55) HTR7CCR5CYP19A1SIGMAR1KDM4E
SCHEMBL6076000 0.75 HTR7 (0.68) HTR7CCR5ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6490470 0.74 HTR7 (0.67) HTR7CCR5ADRA1DADRA1AADRA1B
SCHEMBL6499248 0.74 DGAT1 (0.48) HTR7CCR5ADRA1BSIGMAR1DRD2
SCHEMBL6503951 0.74 DRD2 (0.40) HTR7ADRA1DADRA1AADRA1BSIGMAR1
SCHEMBL8191001 0.72 ADRA1D (0.51) ADRA1DADRA1AADRA1BSIGMAR1DRD2
SCHEMBL7129359 0.71 APP (0.42) HTR7CCR5SIGMAR1DRD2
SCHEMBL8203575 0.69 DRD2 (0.45) SIGMAR1DRD2LMNA
SCHEMBL2060926 0.69 ACHE (0.47) CYP19A1KDM4ELMNAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6048877-A Tetralone derivatives as antiarrhythmic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-11 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 (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 1189/4885CCR5 206/4885ADRA1D 65/4885

“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.