SCHEMBL7213997

SCHEMBL7213997

COc1cc2c(cc1OC)CC(CN1CC=C(c3c[nH]c4cc(Cl)ccc34)CC1)C2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
DRD2 P14416 6/20 0.48
HTR2A P28223 3/20 0.48
HTR1A P08908 6/20 0.47
HTR1D P28221 1/20 0.47
SLC6A4 P31645 1/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL7214490 0.88 OPRM1 (0.58) OPRM1OPRK1DRD2HTR2AHTR1A
SCHEMBL7213750 0.86 HTR1D (0.48) OPRM1OPRK1DRD2HTR2AHTR1A
SCHEMBL7214611 0.84 DRD2 (0.54) OPRM1OPRK1DRD2HTR2AHTR1A
SCHEMBL7214617 0.84 DRD2 (0.46) OPRM1OPRK1DRD2HTR2AHTR1A
Oxalic Acid SCHEMBL7220896 0.83 OPRM1 (0.55) OPRM1OPRK1DRD2HTR2AHTR1A
SCHEMBL7214724 0.82 HTR1A (0.46) OPRM1OPRK1DRD2HTR2AHTR1A
SCHEMBL7214728 0.82 HTR1A (0.45) OPRM1OPRK1DRD2HTR2AHTR1A
SCHEMBL7220164 0.81 HTR1D (0.48) OPRM1OPRK1DRD2HTR2AHTR1A
SCHEMBL7213855 0.81 HTR1A (0.48) OPRM1OPRK1DRD2HTR2AHTR1A
SCHEMBL7214469 0.78 HTR1D (0.57) OPRM1OPRK1DRD2HTR2AHTR1A

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 OPRM1 34/4885OPRK1 23/4885DRD2 14/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 OPRM1 34/4885OPRK1 23/4885DRD2 14/4885

“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.