Sugi Predict

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SCHEMBL6599332

SCHEMBL6599332

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ OPRL1 P41146 2/20 0.46
▸ CCR3 P51677 5/20 0.42
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ CCR2 P41597 2/20 0.38
▸ DRD4 P21917 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6598237 0.86 OPRM1 (0.47) OPRM1OPRK1OPRL1CCR3ALDH1A1
SCHEMBL27598011 0.73 OPRM1 (0.59) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL4767736 0.69 OPRM1 (0.52) OPRM1OPRK1OPRL1KMT2AMEN1
SCHEMBL6595114 0.69 OPRM1 (0.48) OPRM1OPRK1OPRL1CCR2
SCHEMBL6593968 0.69 OPRM1 (0.54) OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4012088 0.68 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL18324814 0.68 OPRL1 (0.58) OPRM1OPRK1OPRL1ALDH1A1LMNA
SCHEMBL6596961 0.68 OPRM1 (0.45) OPRM1OPRK1OPRL1KMT2AMEN1
SCHEMBL6597200 0.68 OPRM1 (0.49) OPRM1OPRK1OPRL1KDM4ECCR2
Hydrochloric Acid SCHEMBL7868006 0.67 OPRM1 (0.62) OPRM1OPRK1OPRL1ALDH1A1KDM4E

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.