SCHEMBL2071308

SCHEMBL2071308

CC1(C)OC(=O)C(C(c2ccccc2)c2c[nH]c3ccccc23)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.44
FFAR1 O14842 2/20 0.44
SRC P12931 2/20 0.43
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
AR P10275 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
NOD2 Q9HC29 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
GAA P10253 4/20 0.41
MGAM O43451 3/20 0.41
SI P14410 3/20 0.41
MGAM2 Q2M2H8 3/20 0.41
MEN1 O00255 4/20 0.40

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
SCHEMBL22439464 0.89 MGAM (0.48) GPR84FFAR1SRCNR3C1PGR
SCHEMBL15149313 0.86 GPR84 (0.48) GPR84FFAR1SRCNR3C1PGR
SCHEMBL6165214 0.84 GABRA1 (0.39) GPR84CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL17070911 0.72 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1423010 0.70 BACE1 (0.37) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL18364645 0.70 GPR84 (0.62) GPR84FFAR1SRCNR3C1PGR
SCHEMBL5791060 0.69 KDM4E (0.41) GPR84SLC6A4HTR2AHTR2CHTR2B
SCHEMBL2071514 0.69 GPR84 (0.49) GPR84FFAR1SRCNR3C1PGR
SCHEMBL29951612 0.69 GPR84 (0.61) GPR84FFAR1SRCNR3C1PGR
SCHEMBL13767828 0.69 GPR84 (0.61) GPR84FFAR1SRCNR3C1PGR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
EP-1756054-A1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC 2006-02-02 US disclosed
WO-2005118539-A1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO disclosed
EP-0475755-B1 3-Aryl-4(3H)quinazolinone CCK antagonists and pharmaceutical formulations thereof LILLY CO ELI (US) 1995-09-27 EP disclosed
US-5196427-A Gastrointestinal and central nervous system disorders; hormone inhibitors ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0475755-A1 3-Aryl-4(3H)quinazolinone CCK antagonists and pharmaceutical formulations thereof ELI LILLY AND COMPANY (US) 1992-03-18 EP disclosed
US-5075313-A For bindign to cholecystokinin receptors ELI LILLY AND COMPANY (US) 1991-12-24 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 (1 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-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors TPH1, HTR1A, HTR3A GPR84 1328/4885FFAR1 475/4885SRC 1869/4885

“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.