SCHEMBL3978472

SCHEMBL3978472

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.49
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
SLC6A4 P31645 2/20 0.44
HTR2A P28223 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
GPR84 Q9NQS5 1/20 0.41
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 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38

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
SCHEMBL4083580 0.88 MGAM (0.49) IDO1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4100328 0.85 HTR2A (0.54) IDO1SLC6A4HTR2ATRPM8
SCHEMBL4100325 0.85 HTR2A (0.54) IDO1SLC6A4HTR2ATRPM8
SCHEMBL4097294 0.84 HTR2C (0.53) IDO1SLC6A4HTR2AMGAMGAA
SCHEMBL4085371 0.84 HTR2C (0.53) IDO1SLC6A4HTR2AMGAMGAA
SCHEMBL4103233 0.83 HTR2A (0.50) IDO1SLC6A4HTR2ATRPM8
SCHEMBL4103234 0.83 HTR2A (0.50) IDO1SLC6A4HTR2ATRPM8
SCHEMBL4110092 0.83 IDO1 (0.52) IDO1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4096561 0.82 IDO1 (0.53) IDO1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4098693 0.82 IDO1 (0.53) IDO1OPRM1OPRK1OPRL1SLC6A4

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 6 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
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
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 IDO1 11/4885OPRM1 35/4885OPRK1 13/4885
US-20090215774-A1 USES OF INDANE COMPOUNDS GPR119, INSR, IRS1 IDO1 19/4885OPRM1 25/4885OPRK1 42/4885

“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.