SCHEMBL7220706

SCHEMBL7220706

c1ccc2c(c1)CC(CN1CCN(c3cccc4cc[nH]c34)CC1)C2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.47
SIGMAR1 Q99720 4/20 0.47
HTR1A P08908 3/20 0.47
DRD3 P35462 3/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR2A P28223 4/20 0.44
HTR2C P28335 3/20 0.44
DRD4 P21917 2/20 0.39

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
SCHEMBL7220161 0.88 DRD2 (0.42) DRD2SIGMAR1HTR1ADRD3HTR2A
SCHEMBL7220805 0.80 DRD2 (0.63) DRD2SIGMAR1HTR1ADRD3ADRA2A
SCHEMBL7214291 0.75 DRD2 (0.57) DRD2SIGMAR1HTR1ADRD3ADRA2A
SCHEMBL29046798 0.74 DRD2 (0.43) DRD2HTR1ADRD3HTR2AHTR2C
SCHEMBL30610372 0.74 DRD2 (0.43) DRD2HTR1ADRD3HTR2AHTR2C
SCHEMBL592475 0.73 PTPN1 (0.39) SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL6194981 0.73 POLB (0.41) DRD2SIGMAR1HTR1AADRA1DADRA1A
SCHEMBL14507269 0.72 DRD2 (0.63) DRD2HTR1ADRD3DRD4
SCHEMBL3297385 0.71 HTR6 (0.57) DRD2SIGMAR1HTR1ADRD3HTR2A
SCHEMBL18000216 0.70 BCHE (0.51)

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 DRD2 14/4885SIGMAR1 98/4885HTR1A 5/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 DRD2 14/4885SIGMAR1 98/4885HTR1A 5/4885

“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.