SCHEMBL4098697

SCHEMBL4098697

OC1CC(c2c[nH]c3ccc(Cl)cc23)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.53
SLC6A4 P31645 2/20 0.51
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
HTR1A P08908 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
KIF11 P52732 2/20 0.40
NR4A2 P43354 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4096561 1.00 IDO1 (0.53) IDO1SLC6A4OPRM1OPRK1OPRL1
SCHEMBL4098693 1.00 IDO1 (0.53) IDO1SLC6A4OPRM1OPRK1OPRL1
SCHEMBL4110092 0.85 IDO1 (0.52) IDO1SLC6A4OPRM1OPRK1OPRL1
SCHEMBL4054091 0.82 HTR2C (0.54) IDO1SLC6A4GAAALDH1A1
SCHEMBL4096972 0.82 HTR2C (0.54) IDO1SLC6A4GAAALDH1A1
SCHEMBL4107338 0.82 HTR2C (0.54) IDO1SLC6A4GAAALDH1A1
SCHEMBL3978472 0.82 IDO1 (0.49) IDO1SLC6A4OPRM1OPRK1OPRL1
SCHEMBL3978475 0.82 SLC6A4 (0.50) IDO1SLC6A4OPRM1OPRK1OPRL1
SCHEMBL4103394 0.80 HTR2A (0.53) IDO1SLC6A4GPR84HTR1ANR4A2
SCHEMBL4103395 0.80 HTR2A (0.53) IDO1SLC6A4GPR84HTR1ANR4A2

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 4 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-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 IDO1 11/4885SLC6A4 5/4885OPRM1 35/4885
US-20090215774-A1 USES OF INDANE COMPOUNDS GPR119, INSR, IRS1 IDO1 19/4885SLC6A4 215/4885OPRM1 25/4885

“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.