SCHEMBL3520760

SCHEMBL3520760

Fc1ccc(OC(Br)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.49
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 3/20 0.38
HTT P42858 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
MITF O75030 1/20 0.38
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL3485914 0.85 SLC6A4 (0.41) SLC6A4SRD5A2
SCHEMBL11853241 0.82 LTA4H (0.50) PPARGPPARASRD5A2
SCHEMBL27537272 0.79 IDO1 (0.49) SLC6A4PPARGPPARAKMT2AMEN1
SCHEMBL28267595 0.79 SLC7A5 (0.52) SLC6A4KMT2AMEN1EPHX1
SCHEMBL7983195 0.78 IDO1 (0.44) SLC6A4PPARGPPARAKMT2ACYP2D6
SCHEMBL10497077 0.76 TRPA1 (0.38) SLC6A4SRD5A2
SCHEMBL10888173 0.76 SLC6A4 (0.49) SLC6A4PPARGPPARAALDH1A1HTT
SCHEMBL2954812 0.76 SLC6A4 (0.49) SLC6A4PPARGPPARAALDH1A1HTT
SCHEMBL10689396 0.76 SLC6A4 (0.49) SLC6A4PPARGPPARAALDH1A1HTT
SCHEMBL350781 0.76 SLC6A4 (0.60) SLC6A4ALDH1A1MAPTCYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737809-B1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC (US) 2013-09-18 EP disclosed
US-7816367-B2 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2010-10-19 US disclosed
US-7649110-B2 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2010-01-19 US disclosed
EP-1737809-A4 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC (US) 2007-10-17 EP disclosed
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2007-06-21 US disclosed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
EP-1737809-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2007-01-03 EP disclosed
US-20060004012-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. 2006-01-05 US disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
WO-2005086661-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2005-09-22 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 (3 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 SLC6A4 491/4885PPARG 4665/4885PPARA 4028/4885
US-20060004012-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders PNLIP, IAPP, GPR119 SLC6A4 3167/4885PPARG 150/4885PPARA 189/4885
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders PNLIP, IAPP, GPR119 SLC6A4 3167/4885PPARG 150/4885PPARA 189/4885

“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.