SCHEMBL6971410

SCHEMBL6971410

OCC1CCc2ccc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
PNMT P11086 4/20 0.41
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
IDO1 P14902 1/20 0.38
MTNR1A P48039 6/20 0.38
NQO2 P16083 4/20 0.37
MTNR1B P49286 4/20 0.37

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
SCHEMBL6976757 0.89 MTNR1A (0.40) ESR1ESR2HTR2AHTR2CHTR2B
SCHEMBL3361207 0.82 HTR2A (0.46) ESR1ESR2HTR2AHTR2CHTR2B
SCHEMBL28601267 0.80 FFAR1 (0.50) ESR1ESR2MTNR1ANQO2MTNR1B
SCHEMBL28601201 0.80 FFAR1 (0.50) ESR1ESR2MTNR1ANQO2MTNR1B
SCHEMBL11569727 0.79 ESR1 (0.62) ESR1ESR2HTR2AHTR2CHTR2B
SCHEMBL29434749 0.79 HTR2C (0.49) ESR1ESR2HTR2AHTR2CHTR2B
SCHEMBL20187509 0.79 HTR2C (0.49) ESR1ESR2HTR2AHTR2CHTR2B
SCHEMBL31028044 0.78 HTR2A (0.40) ESR1ESR2HTR2AHTR2CHTR2B
SCHEMBL9276752 0.76 HTR2A (0.46) HTR2AHTR2CHTR2BPNMTIDO1
SCHEMBL21954285 0.76 MTNR1A (0.40) ESR1ESR2IDO1MTNR1ANQO2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946538-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2003-08-06 EP disclosed
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-6436940-B1 2002-08-20 US disclosed
US-6436940-B2 COMBINED EFFECTS OF DOPAMINE D4 RECEPTOR LIGANDS AND SEROTONIN REUPTAKE INHIBITORS; SCHIZOPHRENIA; ANTIDEPRESSANT; ANXIOLYTIC AGENTS; PSYCHOLOGICAL DISORDERS; PANIC, SLEEP AND OBSESSIVE COMPULSIVE DISORDERS; ANTIISCHEMIC AGENTS H. LUNDBECK A/S (DK) 2002-08-20 US 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-6331544-B1 TREATING POSITIVE AND NEGATIVE SYMPTOMS OF SCHIZOPHRENIA AND OTHER PSYCHOSES H. LUNDBECK A/S (DK) 2001-12-18 US disclosed
US-20010051625-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-12-13 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-0946538-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP 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
WO-1998028290-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 (3 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-20010051625-A1 Indane or dihydroindole derivatives DRD2, SLC6A3, DRD1 ESR1 1398/4885ESR2 1447/4885HTR2A 26/4885
US-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 ESR1 354/4885ESR2 423/4885HTR2A 32/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 ESR1 354/4885ESR2 423/4885HTR2A 32/4885

“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.