SCHEMBL4098655

SCHEMBL4098655

CNC1CC(c2c[nH]c3cc(Br)ccc23)c2cc(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.46
IDO1 P14902 2/20 0.46
DRD2 P14416 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR2A P28223 2/20 0.37
HTR1A P08908 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR1B P28222 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL4098657 1.00 SLC6A4 (0.46) SLC6A4IDO1DRD2CHRNB2CHRNA7
SCHEMBL4098671 0.83 SLC6A4 (0.50) SLC6A4IDO1DRD2HTR2ASLC6A2
SCHEMBL4098677 0.83 SLC6A4 (0.50) SLC6A4IDO1DRD2HTR2ASLC6A2
SCHEMBL4098654 0.80 IDO1 (0.46) SLC6A4IDO1DRD2HTR2AHTR1A
SCHEMBL4098650 0.80 IDO1 (0.46) SLC6A4IDO1DRD2HTR2AHTR1A
SCHEMBL13620096 0.78 HTR2A (0.48) SLC6A4IDO1HTR2AHTR1ADRD1
SCHEMBL4103244 0.77 HTR2A (0.47) SLC6A4IDO1HTR2AHTR1ADRD1
SCHEMBL4103239 0.77 HTR2A (0.47) SLC6A4IDO1HTR2AHTR1ADRD1
SCHEMBL4100331 0.76 HTR2A (0.51) SLC6A4IDO1HTR2AHTR1ADRD1
SCHEMBL4100338 0.76 HTR2A (0.51) SLC6A4IDO1HTR2AHTR1ADRD1

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
US-7618967-B2 Indane compounds H. LUNDBECK A/S (DK) 2009-11-17 US disclosed
US-7618967-B2 Indane compounds H. LUNDBECK A/S (DK) 2009-11-17 US disclosed
US-7618967-B2 Indane compounds H. LUNDBECK A/S (DK) 2009-11-17 US disclosed
WO-2009106559-A1 USES OF INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
WO-2009106559-A1 USES OF INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
US-20090215774-A1 USES OF INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2009-08-27 US disclosed
US-20090215774-A1 USES OF INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2009-08-27 US disclosed
US-20090215774-A1 USES OF INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2009-08-27 US disclosed
CN-101472890-A 3- (1H-indol- 3-ydindan-1-ylamine derivatives for the treatment of depression and anxiety LUNDBECK & CO AS H (DK) 2009-07-01 CN disclosed
US-20080058329-A1 NOVEL INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2008-03-06 US disclosed
US-20080058329-A1 NOVEL INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2008-03-06 US disclosed
US-20080058329-A1 NOVEL INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2008-03-06 US disclosed
WO-2008025361-A1 3-(1H-INDOL-3-YL) INDAN-1-YLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY H. LUNDBECK A/S (DK) 2008-03-06 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-20080058329-A1 NOVEL INDANE COMPOUNDS OPRL1, HTR2C, SLC6A3 SLC6A4 5/4885IDO1 11/4885DRD2 20/4885
US-20090215774-A1 USES OF INDANE COMPOUNDS GPR119, INSR, IRS1 SLC6A4 215/4885IDO1 19/4885DRD2 155/4885

“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.