SCHEMBL6963642

SCHEMBL6963642

c1ccc2c(c1)CC(CN1CCN(c3ccc4c(c3)OCO4)CC1)C2

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.86
DRD2 P14416 3/20 0.86
DRD3 P35462 3/20 0.86
HTR1A P08908 2/20 0.86
ADRA2A P08913 1/20 0.86
ADRA2C P18825 1/20 0.86
ADRA1D P25100 1/20 0.86
ADRA1A P35348 1/20 0.86
ADRA1B P35368 1/20 0.86
KDM4E B2RXH2 3/20 0.46
MAPT P10636 5/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL29639702 0.92 DRD2 (1.00) SIGMAR1DRD2DRD3HTR1AADRA2A
SCHEMBL7810984 0.92 DRD2 (1.00) SIGMAR1DRD2DRD3HTR1AADRA2A
SCHEMBL7807312 0.84 HTR1A (0.84) SIGMAR1DRD2DRD3HTR1AADRA2A
SCHEMBL7805322 0.83 DRD2 (0.71) SIGMAR1DRD2DRD3HTR1AADRA2A
SCHEMBL7805320 0.83 SIGMAR1 (0.71) SIGMAR1DRD2DRD3HTR1AADRA2A
SCHEMBL7810855 0.82 SIGMAR1 (0.78) SIGMAR1DRD2DRD3HTR1AADRA2A
SCHEMBL7805016 0.82 SIGMAR1 (0.78) SIGMAR1DRD2DRD3HTR1AADRA2A
SCHEMBL6960133 0.81 DRD2 (0.58) SIGMAR1DRD2DRD3HTR1AADRA2A
SCHEMBL7805256 0.77 DRD2 (0.72) SIGMAR1DRD2DRD3HTR1AADRA2A
SCHEMBL7814698 0.75 DRD2 (0.60) SIGMAR1DRD2DRD3HTR1AADRA2A

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 5 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 claimed
US-6331544-B1 TREATING POSITIVE AND NEGATIVE SYMPTOMS OF SCHIZOPHRENIA AND OTHER PSYCHOSES H. LUNDBECK A/S (DK) 2001-12-18 US claimed
US-20010051625-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-12-13 US claimed
EP-0946538-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP claimed
WO-1998028290-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1998-07-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SIGMAR1 121/4885DRD2 1/4885DRD3 6/4885

“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.