SCHEMBL6802859

SCHEMBL6802859

Nc1ccc2c(c1)C(CN1CC=C(c3c[nH]c4cc(Cl)ccc34)CC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.49
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
SLC6A4 P31645 5/20 0.42
DRD2 P14416 6/20 0.42
HTR1A P08908 5/20 0.42
HTR2A P28223 1/20 0.42
HTT P42858 1/20 0.42
HTR7 P34969 4/20 0.42
HTR6 P50406 4/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 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
SCHEMBL7220152 0.94 OPRM1 (0.51) HTR1DOPRM1OPRK1SLC6A4DRD2
SCHEMBL6795818 0.93 OPRM1 (0.56) OPRM1OPRK1SLC6A4DRD2HTR1A
SCHEMBL7219472 0.90 HTR1D (0.48) HTR1DOPRM1OPRK1SLC6A4DRD2
SCHEMBL7213712 0.89 HTR1D (0.48) HTR1DOPRM1OPRK1SLC6A4DRD2
SCHEMBL7214477 0.89 HTR1D (0.48) HTR1DOPRM1OPRK1SLC6A4DRD2
SCHEMBL7705774 0.88 HTR1D (0.55) HTR1DOPRM1OPRK1SLC6A4DRD2
SCHEMBL7219366 0.87 HTR1D (0.46) HTR1DOPRM1OPRK1SLC6A4DRD2
SCHEMBL7216038 0.85 SLC6A4 (0.47) HTR1DOPRM1OPRK1SLC6A4DRD2
SCHEMBL7213750 0.84 HTR1D (0.48) HTR1DOPRM1OPRK1SLC6A4DRD2
SCHEMBL6796026 0.83 HTR1D (0.48) HTR1DOPRM1OPRK1SLC6A4DRD2

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-6767907-B2 FOR THERAPY OF PSYCHIC AND NEUROLOGIC DISORDERS H. LUNDBECK A/S (DK) 2004-07-27 US disclosed
US-6743808-B1 PSYCHOLOGICAL AND NEUROLOGIC DISORDERS; CENTRAL SEROTONERGIC 5-HT1A AND 5-HT2A RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2004-06-01 US disclosed
US-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines PERREGAARD JENS KRISTIAN (DK) 2003-10-16 US disclosed
US-6218394-B1 FOR THERAPY OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, SUCH AS GENERALISED ANXIETY DISORDER, PANIC DISORDER H. LUNDBECK A/S (DK) 2001-04-17 US disclosed
EP-0765311-B1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES LUNDBECK & CO AS H (DK) 2000-10-04 EP 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-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines CNR1, TPH1, CNR2 HTR1D 4/4885OPRM1 15/4885OPRK1 29/4885

“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.