SCHEMBL249134

SCHEMBL249134

OCCc1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42
DAO P14920 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 4/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BACE1 P56817 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
BCHE P06276 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL2551774 0.85 TAAR1 (0.42) TAAR1LMNAHPGDGAADAO
SCHEMBL30818012 0.84 TAAR1 (0.38) TAAR1LMNAHPGDGAADAO
SCHEMBL28542074 0.84 TAAR1 (0.42) TAAR1LMNAHPGDGAADAO
SCHEMBL29257739 0.84 ACHE (0.44) TAAR1LMNAHPGDGAATDP1
SCHEMBL27596 0.84 TAAR1 (0.42) TAAR1LMNAHPGDGAATDP1
SCHEMBL3265635 0.84 TAAR1 (0.68) TAAR1GAADAOTDP1KDM4E
SCHEMBL17979943 0.84 TAAR1 (0.38) TAAR1LMNAHPGDGAADAO
SCHEMBL9032180 0.84 LMNA (0.35) TAAR1LMNAHPGDGAADAO
SCHEMBL7701701 0.83 TAAR1 (0.52) TAAR1GAADAOKDM4ECES2
SCHEMBL22602459 0.80 LMNA (0.38) TAAR1LMNAHPGDGAADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736901-A1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2014-06-04 EP claimed
WO-2013014162-A1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-01-31 WO claimed
US-10052312-B2 Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-21 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20170182014-A1 AMINO-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-29 US disclosed
EP-3119777-A1 CYANO-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-01-25 EP disclosed
EP-3119778-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-01-25 EP disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 US disclosed
EP-1756043-A1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS Pfizer, Inc. (US) 2007-02-28 EP disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
WO-2005123748-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 WO disclosed
US-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds PFIZER INC 2005-11-10 US disclosed
WO-2005105733-A1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2005-11-10 WO disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 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 (5 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-10035790-B2 RORγ modulators RORB, RORA, RORC TAAR1 1070/4885LMNA 2906/4885HPGD 1147/4885
US-10052312-B2 Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use AADAC, TNNI3, PAICS TAAR1 1664/4885LMNA 252/4885HPGD 762/4885
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 TAAR1 337/4885LMNA 4598/4885HPGD 1397/4885
US-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds OPRL1, PTGER1, OPRM1 TAAR1 951/4885LMNA 3070/4885HPGD 159/4885
US-20170182014-A1 AMINO-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AADAC, TNNI3, PAICS TAAR1 1664/4885LMNA 252/4885HPGD 762/4885

“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.