SCHEMBL7220227

SCHEMBL7220227

CC(=O)N1CC(CCN2CCN(c3cccc4[nH]ccc34)CC2)c2cc(F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.55
DRD2 P14416 7/20 0.55
HTR2A P28223 5/20 0.55
DRD3 P35462 2/20 0.43
ADRA1A P35348 1/20 0.43
GAA P10253 4/20 0.43
DRD4 P21917 1/20 0.42
GOT1 P17174 3/20 0.41
MEN1 O00255 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR7 P34969 4/20 0.40
HTR6 P50406 4/20 0.40

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
SCHEMBL7219432 0.89 DRD2 (0.68) HTR1ADRD2HTR2ADRD3ADRA1A
SCHEMBL7219624 0.86 DRD2 (0.51) HTR1ADRD2HTR2ADRD3MAPT
SCHEMBL7214491 0.81 HTR1D (0.48) HTR1ADRD2HTR2ADRD3DRD4
SCHEMBL27518826 0.75 DRD2 (0.54) HTR1ADRD2HTR2ADRD3DRD4
SCHEMBL7214528 0.75 DRD2 (0.62) HTR1ADRD2HTR2ADRD3ADRA1A
SCHEMBL7219334 0.75 DRD2 (0.42) HTR1ADRD2HTR2ADRD3DRD4
SCHEMBL7215989 0.74 DRD2 (0.55) HTR1ADRD2HTR2ADRD3DRD4
SCHEMBL13790931 0.74 HTR7 (0.45) HTR1ADRD2DRD3HTR1DHTR1B
SCHEMBL3963409 0.74 HTR7 (0.45) HTR1ADRD2DRD3HTR1DHTR1B
SCHEMBL7214607 0.73 DRD2 (0.58) HTR1ADRD2HTR2ADRD4HTR1D

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 HTR1A 5/4885DRD2 14/4885HTR2A 32/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 HTR1A 5/4885DRD2 14/4885HTR2A 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.