SCHEMBL6598237

SCHEMBL6598237

Cc1ccc(N)cc1CC(=O)N1CCC(c2c[nH]c3c(Cl)cccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
OPRK1 P41145 2/20 0.47
OPRL1 P41146 2/20 0.47
CCR3 P51677 9/20 0.44
SLC6A4 P31645 1/20 0.41
KDM4E B2RXH2 2/20 0.40
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CREBBP Q92793 1/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CCR2 P41597 2/20 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
SCHEMBL6599332 0.86 OPRM1 (0.46) OPRM1OPRK1OPRL1CCR3SLC6A4
SCHEMBL6593968 0.82 OPRM1 (0.54) OPRM1OPRK1OPRL1SLC6A4HTR1D
SCHEMBL7089113 0.76 OPRM1 (0.47) OPRM1OPRK1OPRL1SLC6A4HTR1D
SCHEMBL27598011 0.76 OPRM1 (0.59) OPRM1OPRK1OPRL1SLC6A4KDM4E
SCHEMBL4767736 0.72 OPRM1 (0.52) OPRM1OPRK1OPRL1SLC6A4KDM4E
SCHEMBL6595114 0.71 OPRM1 (0.48) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL6596961 0.70 OPRM1 (0.45) OPRM1OPRK1OPRL1POLBHTR1D
SCHEMBL6597200 0.70 OPRM1 (0.49) OPRM1OPRK1OPRL1KDM4EHTR1D
Hydrochloric Acid SCHEMBL7868006 0.70 OPRM1 (0.62) OPRM1OPRK1OPRL1SLC6A4KDM4E
SCHEMBL6595053 0.70 HTR1D (0.49) OPRM1OPRK1OPRL1HTR1DHTR1B

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
CN-1264838-C Indole derivatives for treating central nervous system disease LUNDBECK & CO AS H (DK) 2006-07-19 CN disclosed
US-6743809-B2 Indole Derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2004-06-01 US disclosed
EP-1305307-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2004-05-06 EP disclosed
CN-1451002-A Indole derivatives for treating central nervous system disease LUNDBECK & CO AS H (DK) 2003-10-22 CN disclosed
US-20030166664-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-09-04 US disclosed
EP-1305307-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. Lundbeck A/S (DK) 2003-05-02 EP disclosed
WO-2002008223-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2002-01-31 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-20030166664-A1 Indole derivatives useful for the treatment of CNS disorders DRD2, DRD3, CNR1 OPRM1 61/4885OPRK1 33/4885OPRL1 45/4885

“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.