SCHEMBL7129359

SCHEMBL7129359

COc1ccc2c(c1)CCC(C)(CN1CCC(c3ccccc3)CC1)C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
DRD2 P14416 5/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 1/20 0.42
SIGMAR1 Q99720 6/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HTR7 P34969 1/20 0.41
KDM1A O60341 1/20 0.40
PARP1 P09874 1/20 0.39
OPRM1 P35372 1/20 0.39
CCR5 P51681 1/20 0.39
HTR1A P08908 1/20 0.39
CXCR3 P49682 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 0.84 SIGMAR1 (0.47) APPDRD2SIGMAR1HTR2AHTR2C
SCHEMBL7127231 0.79 SIGMAR1 (0.46) APPDRD2SIGMAR1HTR2AHTR2C
SCHEMBL6493047 0.77 CA1 (0.44) APPDRD2SIGMAR1CCR5
SCHEMBL6503951 0.76 DRD2 (0.40) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL8203575 0.75 DRD2 (0.45) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL6499626 0.74 DRD2 (0.44) APPDRD2SIGMAR1CCR5
SCHEMBL7949210 0.74 APP (0.44) APPDRD2SIGMAR1HTR2AHTR2C
SCHEMBL8191001 0.74 ADRA1D (0.51) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6500886 0.72 MTNR1B (0.45) APPDRD2SIGMAR1OPRM1CCR5
SCHEMBL8200589 0.72 MTNR1B (0.45) APPDRD2SIGMAR1OPRM1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114438-A1 Lactam derivatives as antiarrhythmic agents S ATWAL KARNAIL (US) 2003-06-19 US claimed
US-6664250-B2 Cardiovascular disorders BRISTOL-MYERS SQUIBB CO. 2003-12-16 US disclosed
US-20030114438-A1 Lactam derivatives as antiarrhythmic agents S ATWAL KARNAIL (US) 2003-06-19 US disclosed
US-6262068-B1 ISOQUINOLONES BRISTOL-MYERS SQUIBB COMPANY 2001-07-17 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-20030114438-A1 Lactam derivatives as antiarrhythmic agents NPR3, SCN3A, NRDC APP 3322/4885DRD2 1143/4885DRD4 1750/4885

“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.