SCHEMBL3978475

SCHEMBL3978475

CN[C@@H]1C[C@@H](c2c[nH]c3ccc(Cl)cc23)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.50
SLC6A2 P23975 3/20 0.49
SLC6A3 Q01959 3/20 0.49
IDO1 P14902 2/20 0.49
TP53 P04637 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.49
CYP2D6 P10635 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
MTOR P42345 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.48
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL4083583 0.86 MGAM (0.46) SLC6A4SLC6A2SLC6A3TP53CYP1A2
SCHEMBL13620081 0.86 IDO1 (0.50) SLC6A4SLC6A2SLC6A3IDO1TP53
SCHEMBL4100331 0.85 HTR2A (0.51) SLC6A4SLC6A2SLC6A3IDO1CYP2C19
SCHEMBL4100338 0.85 HTR2A (0.51) SLC6A4SLC6A2SLC6A3IDO1CYP2C19
SCHEMBL4085374 0.84 HTR2C (0.49) IDO1LMNA
SCHEMBL4097300 0.84 HTR2C (0.49) IDO1LMNA
SCHEMBL4103244 0.83 HTR2A (0.47) SLC6A4SLC6A2SLC6A3IDO1CYP2C19
SCHEMBL4103239 0.83 HTR2A (0.47) SLC6A4SLC6A2SLC6A3IDO1CYP2C19
SCHEMBL4097249 0.83 NR4A2 (0.46) SLC6A4IDO1OPRM1OPRK1OPRL1
SCHEMBL4098697 0.82 IDO1 (0.53) SLC6A4IDO1OPRM1OPRK1OPRL1

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 14 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
EP-2057119-A1 3- (IH-INDOL- 3-YDINDAN-1-YLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY H. Lundbeck A/S (DK) 2009-05-13 EP 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
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 5/4885SLC6A2 7/4885SLC6A3 3/4885
US-20090215774-A1 USES OF INDANE COMPOUNDS GPR119, INSR, IRS1 SLC6A4 215/4885SLC6A2 252/4885SLC6A3 114/4885

“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.