SCHEMBL4098677

SCHEMBL4098677

CN[C@@H]1C[C@@H](c2c[nH]c3cc(F)ccc23)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.50
IDO1 P14902 1/20 0.49
DRD2 P14416 1/20 0.46
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 1/20 0.43
HTR2A P28223 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
SCHEMBL4098671 1.00 SLC6A4 (0.50) SLC6A4IDO1DRD2SLC6A2SLC6A3
SCHEMBL4100338 0.90 HTR2A (0.51) SLC6A4IDO1SLC6A2SLC6A3CYP2C19
SCHEMBL4100331 0.90 HTR2A (0.51) SLC6A4IDO1SLC6A2SLC6A3CYP2C19
SCHEMBL4085374 0.84 HTR2C (0.49) IDO1HTR2A
SCHEMBL4097300 0.84 HTR2C (0.49) IDO1HTR2A
SCHEMBL4098657 0.83 SLC6A4 (0.46) SLC6A4IDO1DRD2SLC6A2SLC6A3
SCHEMBL4098655 0.83 SLC6A4 (0.46) SLC6A4IDO1DRD2SLC6A2SLC6A3
SCHEMBL14263100 0.83 HTR2A (0.43) IDO1HTR2A
SCHEMBL4088917 0.83 HTR2A (0.43) IDO1HTR2A
SCHEMBL4097291 0.83 HTR2A (0.43) IDO1HTR2A

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
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
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

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.