SCHEMBL1509

SCHEMBL1509

CC(=O)CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
ALDH1A1 P00352 1/20 0.55
FFAR4 Q5NUL3 3/20 0.54
FFAR1 O14842 3/20 0.53
ACP3 P15309 1/20 0.53
EPHX1 P07099 2/20 0.52
MAOB P27338 2/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
MAPT P10636 2/20 0.49
NR3C2 P08235 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49

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
SCHEMBL8491974 0.86 TAAR1 (0.61) TAAR1FFAR4FFAR1ACP3EPHX1
SCHEMBL365336 0.85 FFAR1 (0.70) TAAR1FFAR4FFAR1ACP3EPHX1
SCHEMBL15032898 0.85 ALDH1A1 (0.56) ALDH1A1FFAR4HDAC8MAPTKDM4E
Benzylacetone SCHEMBL27750721 0.85 ALDH1A1 (0.72) ALDH1A1FFAR4FFAR1HDAC8
SCHEMBL31135527 0.84 TAAR1 (0.54) TAAR1FFAR4FFAR1ACP3EPHX1
SCHEMBL11242235 0.84 FFAR1 (0.80) FFAR4FFAR1HDAC1HDAC8
SCHEMBL24123560 0.83 TAAR1 (0.57) TAAR1FFAR4FFAR1ACP3EPHX1
SCHEMBL185922 0.83 TAAR1 (0.62) TAAR1FFAR4FFAR1ACP3EPHX1
SCHEMBL30645023 0.83 TAAR1 (0.62) TAAR1FFAR4FFAR1ACP3EPHX1
Hydrochloric Acid SCHEMBL30765594 0.83 FFAR1 (0.68) TAAR1FFAR4FFAR1ACP3EPHX1

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
EP-1757582-B1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-30 EP disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-8759387-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-24 US disclosed
US-8759387-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-24 US disclosed
US-8703721-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-04-22 US disclosed
US-8703721-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-04-22 US disclosed
US-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-03-20 US disclosed
EP-1553078-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2005-07-13 EP disclosed
EP-1275635-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2003-01-15 EP disclosed
EP-1203761-A2 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-05-08 EP disclosed
US-6211244-B1 AROMATIC AMINES FOR COMPLEXING CALCIUM NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
WO-1996012697-A9 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMA INC (US) 2000-08-24 WO disclosed
EP-0787122-A2 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-08-06 EP disclosed
WO-1996012697-A2 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1996-05-02 WO disclosed
US-4647579-A Circulation active novel substituted 4-hydroxy-benzopyrans BAYER AKTIENGESELLSCHAFT (DE) 1987-03-03 US disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
US-4328355-A ANTIFERTILITY AGENTS G. D. SEARLE & CO. (US) 1982-05-04 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-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME NAT1, INMT, ARSA TAAR1 158/4885ALDH1A1 213/4885FFAR4 1623/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 TAAR1 361/4885ALDH1A1 3726/4885FFAR4 39/4885

“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.