SCHEMBL7220080

SCHEMBL7220080

CC(=O)N1c2ccc(F)cc2CC1CN1CC=C(c2c[nH]c3cc(Cl)ccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.49
HTR2A P28223 3/20 0.49
HTR1D P28221 2/20 0.48
SLC6A4 P31645 6/20 0.46
ADRA1D P25100 1/20 0.46
HTR1B P28222 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR1A P08908 7/20 0.45
HTR7 P34969 4/20 0.45
HTR6 P50406 4/20 0.45
TDO2 P48775 1/20 0.44
OPRL1 P41146 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL7216036 0.93 HTR1D (0.53) DRD2HTR2AHTR1DSLC6A4ADRA1D
SCHEMBL7220689 0.91 HTR1D (0.49) DRD2HTR2AHTR1DSLC6A4HTR1A
SCHEMBL7219420 0.83 HTR1D (0.56) DRD2HTR2AHTR1DSLC6A4ADRA1D
SCHEMBL7220921 0.78 HTR1D (0.52) DRD2HTR2AHTR1DSLC6A4ADRA1D
SCHEMBL7213712 0.76 HTR1D (0.48) DRD2HTR2AHTR1DSLC6A4ADRA1D
Oxalic Acid SCHEMBL7220896 0.75 OPRM1 (0.55) DRD2HTR2AHTR1DSLC6A4HTR1A
SCHEMBL7220243 0.75 HTR1D (0.52) DRD2HTR2AHTR1DSLC6A4ADRA1D
SCHEMBL7214490 0.74 OPRM1 (0.58) DRD2HTR2AHTR1DSLC6A4HTR1A
SCHEMBL7220164 0.74 HTR1D (0.48) DRD2HTR2AHTR1DSLC6A4HTR1A
SCHEMBL16801678 0.74 SLC6A4 (0.56) HTR1DSLC6A4HTR1AHTR6TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1282644-C Indane or indoline derivative LUNDBECK & CO AS H (DK) 2006-11-01 CN disclosed
CN-1244558-C 1,2-indane or indoline derivative LUNDBECK & CO AS H (DK) 2006-03-08 CN disclosed
CN-1515551-A 1,2-indane or indoline derivative H.¡�±������޹�˾ 2004-07-28 CN disclosed
CN-1495165-A Indane or indoline derivative H.¡�±������޹�˾ 2004-05-12 CN disclosed
CN-1146556-C 1, 2-indane or indoline derivative and preparation method and application thereof H.¡�±������޹�˾ 2004-04-21 CN 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-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 14/4885HTR2A 32/4885HTR1D 4/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 DRD2 14/4885HTR2A 32/4885HTR1D 4/4885

“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.