SCHEMBL6598005

SCHEMBL6598005

Cc1ccc(NC(=O)c2cccnc2)cc1CCN1CCC(c2c[nH]c3c(Cl)cccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
HTR1D P28221 10/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR1B P28222 7/20 0.42
CHRM2 P08172 1/20 0.42
DRD2 P14416 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CCR2 P41597 1/20 0.41
EGFR P00533 1/20 0.41
BRAF P15056 1/20 0.41
MEN1 O00255 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
SCHEMBL6597692 0.92 HTR1D (0.47) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL6595053 0.91 HTR1D (0.49) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL6598368 0.89 HTR1D (0.50) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL6598134 0.89 HTR1D (0.50) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL6598537 0.87 HTR1D (0.59) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL6597996 0.87 HTR1D (0.47) HTR1DRAB9AHTR1BCHRM2DRD2
SCHEMBL6597282 0.86 HTR1D (0.48) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL6598037 0.86 HTR1D (0.44) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL6595114 0.85 OPRM1 (0.48) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL6597185 0.85 OPRM1 (0.42) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743809-B2 Indole Derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2004-06-01 US claimed
EP-1305307-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2004-05-06 EP claimed
US-20030166664-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-09-04 US claimed
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
US-20030166664-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-09-04 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-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.