SCHEMBL7216288

SCHEMBL7216288

c1ccc2c(c1)CC(CN1CCC(c3c[nH]c4cc5c(cc34)OCO5)CC1)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.48
OPRM1 P35372 5/20 0.48
OPRK1 P41145 5/20 0.48
ADRA1D P25100 4/20 0.45
ADRA1B P35368 2/20 0.45
DRD2 P14416 3/20 0.44
HTR2A P28223 2/20 0.44
HTR1A P08908 2/20 0.43
DRD3 P35462 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD1 P21728 1/20 0.43
HTR2C P28335 1/20 0.43
HTR6 P50406 1/20 0.43
SLC2A1 P11166 1/20 0.42

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
SCHEMBL7219355 0.82 ADRA1D (0.60) ADRA1D
SCHEMBL7216028 0.81 OPRM1 (0.56) OPRL1OPRM1OPRK1ADRA1DADRA1B
SCHEMBL7219761 0.76 HTR1A (0.48) OPRM1OPRK1DRD2HTR2AHTR1A
Oxalic Acid SCHEMBL7215994 0.76 OPRM1 (0.53) OPRL1OPRM1OPRK1ADRA1DADRA1B
SCHEMBL7214363 0.73 OPRL1 (0.76) OPRL1OPRM1OPRK1ADRA1DSIGMAR1
SCHEMBL7213861 0.72 OPRL1 (0.58) OPRL1OPRM1OPRK1ADRA1DHTR1A
SCHEMBL6967690 0.71 HTR2C (0.53) HTR2AHTR1AHTR2CHTR6
SCHEMBL6961015 0.71 SIGMAR1 (0.56) OPRL1OPRM1OPRK1SIGMAR1
SCHEMBL7216932 0.70 OPRM1 (0.54) OPRL1OPRM1OPRK1ADRA1DADRA1B
SCHEMBL7814547 0.69 SIGMAR1 (0.65) ADRA1DADRA1BDRD2HTR1ADRD3

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 8 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
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 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 (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 OPRL1 20/4885OPRM1 34/4885OPRK1 23/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 OPRL1 20/4885OPRM1 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.