SCHEMBL7213713

SCHEMBL7213713

COc1cc2c(cc1OC)CC(CN1CCC(c3c[nH]c4cc(Cl)ccc34)CC1)C2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.51
OPRM1 P35372 3/20 0.47
OPRK1 P41145 3/20 0.47
OPRL1 P41146 3/20 0.47
PDE4D Q08499 2/20 0.47
DRD2 P14416 5/20 0.46
HTR2A P28223 4/20 0.46
HTR2C P28335 3/20 0.45
HTR1A P08908 2/20 0.45
DRD1 P21728 2/20 0.45
DRD3 P35462 2/20 0.45
HTR6 P50406 2/20 0.45
SLC6A4 P31645 2/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRA1D P25100 1/20 0.41
BCHE P06276 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
SCHEMBL7216028 0.86 OPRM1 (0.56) OPRM1OPRK1OPRL1DRD2HTR2A
SCHEMBL7509027 0.85 APP (0.51) APPOPRM1OPRK1OPRL1PDE4D
SCHEMBL7213667 0.83 SLC2A1 (0.44) APPOPRM1OPRK1OPRL1DRD2
SCHEMBL7213673 0.82 SLC2A1 (0.51) APPOPRM1OPRK1OPRL1DRD2
Oxalic Acid SCHEMBL7215994 0.81 OPRM1 (0.53) OPRM1OPRK1OPRL1DRD2HTR2A
SCHEMBL7511636 0.81 OPRM1 (0.43) APPOPRM1OPRK1OPRL1DRD2
SCHEMBL7511639 0.80 DRD2 (0.45) OPRM1OPRK1OPRL1DRD2HTR2A
SCHEMBL7220850 0.80 HTR1D (0.54) APPDRD2HTR2AHTR2CHTR1A
SCHEMBL7220832 0.79 OPRM1 (0.45) APPOPRM1OPRK1OPRL1PDE4D
Oxalic Acid SCHEMBL7216015 0.77 DRD2 (0.41) OPRM1OPRK1OPRL1DRD2HTR2A

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-6552044-B2 Dopamine receptors H. LUNDBECK A/S (DK) 2003-04-22 US disclosed
EP-0946542-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2002-10-09 EP disclosed
US-6352988-B2 HIGH AFFINITY FOR D4 RECEPTORS; TREATMENT OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, DEPRESSION, ALCOHOL ABUSE, IMPULSE CONTROL DISORDERS, AGGRESSION H. LUNDBECK A/S (DK) 2002-03-05 US disclosed
US-20010021777-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-13 US disclosed
US-20010020095-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-06 US disclosed
US-6262087-B1 HAVE HIGH AFFINITY FOR D4 RECEPTORS; USEFUL IN THE TREATMENT OF CERTAIN PSYCHIATRIC AND NEUROLOGIC DISORDERS, INCLUDING PSYCHOSIS, DEPRESSION AND ANXIETY. H. LUNDBECK A/S (DK) 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 (2 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-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 APP 2209/4885OPRM1 34/4885OPRK1 23/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 APP 2209/4885OPRM1 34/4885OPRK1 23/4885

“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.