SCHEMBL7214511

SCHEMBL7214511

CC(=O)N1c2ccccc2CC1CN1CCC(c2c[nH]c3cc(Cl)ccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
OPRK1 P41145 1/20 0.47
KDM4E B2RXH2 1/20 0.46
BRD4 O60885 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
CREBBP Q92793 1/20 0.46
DRD2 P14416 4/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
AVPR1A P37288 2/20 0.43
CCR2 P41597 5/20 0.42
TP53 P04637 1/20 0.41
HTR2A P28223 3/20 0.41
HTR7 P34969 2/20 0.41
KCNH2 Q12809 2/20 0.41

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
SCHEMBL7219788 0.91 OPRM1 (0.46) OPRM1OPRL1OPRK1KDM4EBRD4
Oxalic Acid SCHEMBL7215994 0.81 OPRM1 (0.53) OPRM1OPRL1OPRK1KDM4EBRD4
SCHEMBL7220689 0.80 HTR1D (0.49) OPRM1OPRK1KDM4EALDH1A1DRD2
SCHEMBL7216028 0.80 OPRM1 (0.56) OPRM1OPRL1OPRK1DRD2SLC6A4
SCHEMBL16801526 0.76 KDM4E (0.69) OPRM1OPRL1OPRK1KDM4EBRD4
SCHEMBL7214377 0.76 HTR2A (0.51) OPRM1OPRL1OPRK1KDM4EBRD4
SCHEMBL7220841 0.75 HTR1A (0.43) OPRM1OPRL1OPRK1KDM4EBRD4
SCHEMBL7216932 0.74 OPRM1 (0.54) OPRM1OPRL1OPRK1DRD2SLC6A4
SCHEMBL7213978 0.74 ADRA1D (0.54) OPRM1OPRL1OPRK1DRD2SLC6A4
SCHEMBL7220850 0.74 HTR1D (0.54) DRD2CCR2HTR2A

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 13 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
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 OPRM1 34/4885OPRL1 20/4885OPRK1 23/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 OPRM1 34/4885OPRL1 20/4885OPRK1 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.