SCHEMBL9220937

SCHEMBL9220937

CC(=O)CCc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IAPP P10997 1/20 0.55
ALDH1A1 P00352 5/20 0.54
LMNA P02545 1/20 0.54
TAAR1 Q96RJ0 3/20 0.52
MAOB P27338 2/20 0.50
AOC3 Q16853 1/20 0.47
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ACKR3 P25106 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RIPK1 Q13546 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
MPO P05164 1/20 0.42

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
SCHEMBL6601966 0.89 TAAR1 (0.48) IAPPALDH1A1LMNATAAR1MAOB
SCHEMBL16070965 0.85 IAPP (0.56) IAPPALDH1A1LMNAMAOBMEN1
Acetic Acid SCHEMBL29114584 0.85 MEN1 (0.54) ALDH1A1TAAR1MAOBMEN1KMT2A
SCHEMBL7955109 0.83 TAAR1 (0.56) ALDH1A1TAAR1MAOBAOC3CASP3
SCHEMBL7331602 0.83 TAAR1 (0.56) IAPPALDH1A1TAAR1MAOBAOC3
SCHEMBL246473 0.82 MEN1 (0.59) ALDH1A1TAAR1CASP3CASP7MEN1
SCHEMBL6964948 0.82 TAAR1 (0.54) ALDH1A1TAAR1MAOBAOC3CASP3
SCHEMBL29444401 0.82 MEN1 (0.59) ALDH1A1TAAR1CASP3CASP7MEN1
SCHEMBL6297593 0.81 TAAR1 (0.48) ALDH1A1TAAR1MAOBAOC3CASP3
SCHEMBL2859015 0.80 TAAR1 (0.57) ALDH1A1TAAR1MAOBAOC3CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3103797-B1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN INC (US) 2019-04-10 EP disclosed
WO-2017184549-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2017-10-26 WO disclosed
EP-3103797-A1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-12-14 EP disclosed
EP-2776403-B1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN INC (US) 2016-09-14 EP disclosed
EP-1757582-B1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-30 EP disclosed
US-20150272120-A1 DIHYDROTHIOPHENE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-10-01 US disclosed
US-9078444-B2 Isothiazoline derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-07-14 US disclosed
US-9045463-B2 Phenyl ethynyl derivatives as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2015-06-02 US disclosed
US-9045463-B2 Phenyl ethynyl derivatives as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2015-06-02 US disclosed
US-20140378415-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-12-25 US disclosed
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-03-24 US disclosed
WO-2011015657-A1 PHENYL ETHYNYL DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-02-10 WO disclosed
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2010-09-30 US disclosed
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2010-09-30 US disclosed
EP-1636218-B1 THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GMBH (DE) 2009-03-25 EP disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 US disclosed
US-20070054939-A1 Thiazolypiperidine derivatives as mtp inhibitors MERCK PATNET GMBH (DE) 2007-03-08 US disclosed
EP-1757582-A1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2007-02-28 EP disclosed
US-4160036-A ADRENERGIC STIMULANTS ALLEN & HANBURYS LIMITED (GB) 1979-07-03 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 (6 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-20140378415-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS CBR3, C1S, HRH2 IAPP 3299/4885ALDH1A1 1473/4885LMNA 4054/4885
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same CASR, CNR1, CNR2 IAPP 3421/4885ALDH1A1 3487/4885LMNA 3346/4885
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME CASR, CNR1, CNR2 IAPP 3421/4885ALDH1A1 3487/4885LMNA 3346/4885
US-20070054939-A1 Thiazolypiperidine derivatives as mtp inhibitors MTTP, CETP, APOB IAPP 438/4885ALDH1A1 955/4885LMNA 2223/4885
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE ARGLU1, ARG1, CNKSR1 IAPP 40/4885ALDH1A1 280/4885LMNA 3793/4885
US-20150272120-A1 DIHYDROTHIOPHENE DERIVATIVES AS INSECTICIDAL COMPOUNDS CBR3, HRH4, QSOX1 IAPP 4215/4885ALDH1A1 869/4885LMNA 3968/4885

“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.