SCHEMBL7220689

SCHEMBL7220689

CC(=O)N1c2ccccc2CC1CN1CC=C(c2c[nH]c3cc(Cl)ccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
DRD2 P14416 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
ALOX15 P16050 2/20 0.46
HTR2A P28223 3/20 0.44
HTR1A P08908 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.43
SLC6A4 P31645 2/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL7219420 0.92 HTR1D (0.56) HTR1DOPRM1OPRK1DRD2HTR2A
SCHEMBL7220080 0.91 DRD2 (0.49) HTR1DOPRM1OPRK1DRD2KDM4E
SCHEMBL7216036 0.84 HTR1D (0.53) HTR1DDRD2KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7220896 0.82 OPRM1 (0.55) HTR1DOPRM1OPRK1DRD2KDM4E
SCHEMBL7214490 0.82 OPRM1 (0.58) HTR1DOPRM1OPRK1DRD2KDM4E
SCHEMBL7214511 0.80 OPRM1 (0.47) OPRM1OPRK1DRD2KDM4EHTR2A
SCHEMBL7220798 0.78 HTR1D (0.48) HTR1DOPRM1OPRK1DRD2HTR2A
SCHEMBL544948 0.77 HTR1D (0.54) HTR1DOPRM1OPRK1DRD2HTR2A
SCHEMBL5398831 0.77 HTR1D (0.54) HTR1DOPRM1OPRK1DRD2HTR2A
Hydrochloric Acid SCHEMBL6676944 0.77 HTR1D (0.54) HTR1DOPRM1OPRK1DRD2HTR2A

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
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

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 HTR1D 4/4885OPRM1 34/4885OPRK1 23/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 HTR1D 4/4885OPRM1 34/4885OPRK1 23/4885

“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.