SCHEMBL7219355

SCHEMBL7219355

c1ccc2c(c1)CC(CN1CCC(c3c[nH]c4ccccc34)CC1)C2

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.60
SLC6A4 P31645 1/20 0.58
KDM4E B2RXH2 1/20 0.56
ATM Q13315 1/20 0.56
CYP2D6 P10635 1/20 0.56
KMT2A Q03164 1/20 0.56

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) ADRA1DSLC6A4
SCHEMBL13261751 0.85 HTR2C (0.68) ADRA1DSLC6A4KDM4EATMCYP2D6
SCHEMBL14306777 0.82 ADRA1D (0.80) ADRA1DSLC6A4KDM4EATMCYP2D6
SCHEMBL7214363 0.82 OPRL1 (0.76) ADRA1DSLC6A4
SCHEMBL7216288 0.82 OPRL1 (0.48) ADRA1D
SCHEMBL7221132 0.81 ADRA1D (0.57) ADRA1DSLC6A4CYP2D6KMT2A
Oxalic Acid SCHEMBL7215994 0.81 OPRM1 (0.53) ADRA1DSLC6A4KDM4E
SCHEMBL4475225 0.80 ADRA1D (0.67) ADRA1DSLC6A4KDM4EATMCYP2D6
SCHEMBL25759842 0.80 ADRA1D (0.67) ADRA1DSLC6A4KDM4EATMCYP2D6
SCHEMBL7213861 0.79 OPRL1 (0.58) ADRA1D

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 9 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
CN-1246117-A 1, 2-indane or indoline derivatives LUNDBECK & CO AS H (DK) 2000-03-01 CN 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 ADRA1D 22/4885SLC6A4 40/4885KDM4E 1773/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 ADRA1D 22/4885SLC6A4 40/4885KDM4E 1773/4885

“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.