SCHEMBL4909009

SCHEMBL4909009

Cc1ccc(I)c(C(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
PIN1 Q13526 1/20 0.37
GRM5 P41594 2/20 0.37
RAB9A P51151 2/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 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
SCHEMBL264366 0.79 NPSR1 (0.48) ALDH1A1SMN1; SMN2GRM5RAB9AMEN1
SCHEMBL2373944 0.78 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTPIN1GRM5
SCHEMBL29625359 0.77 GABRP (0.47) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1759159 0.77 GRM5 (0.53) ALDH1A1SMN1; SMN2MAPTPIN1GRM5
SCHEMBL262422 0.77 GABRP (0.47) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4917922 0.75 MEN1 (0.55) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9951754 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTPIN1GRM5
SCHEMBL3576485 0.75 GRM5 (0.54) ALDH1A1SMN1; SMN2MAPTPIN1GRM5
SCHEMBL20209381 0.75 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MAPTPIN1GRM5
SCHEMBL1405829 0.75 GRM5 (0.40) ALDH1A1SMN1; SMN2MAPTPIN1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor C4X DISCOVERY LIMITED (GB) 2024-07-02 US disclosed
US-20170291897-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR INDIVIOR INC. 2017-10-12 US disclosed
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 EP disclosed
US-9493438-B2 4,4-difluoro-piperidine-compounds ROTTAPHARM S.R.L. (IT) 2016-11-15 US disclosed
EP-2820007-B1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS Rottapharm Biotech Srl (IT) 2016-04-20 EP disclosed
WO-2016034882-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4X DISCOVERY LIMITED (GB) 2016-03-10 WO disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-20150051226-A1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS ROTTAPHARM S.P.A. (IT) 2015-02-19 US disclosed
EP-2820007-A1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS Rottapharm Biotech S.r.l. (IT) 2015-01-07 EP disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
WO-2013127913-A1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS ROTTAPHARM S.P.A. (IT) 2013-09-06 WO disclosed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 WO disclosed
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 WO disclosed
CN-101133027-B Pyridine-2-carboxamide derivatives as mglur5 antagonists HOFFMANN LA ROCHE 2011-03-30 CN disclosed
US-20080269256-A1 PYRIDINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2008-10-30 US disclosed
US-7414060-B2 Pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
CN-101133027-A Pyridine-2-carboxamide derivatives as mglur5 antagonists HOFFMANN LA ROCHE (CH) 2008-02-27 CN disclosed
EP-1858854-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094639-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders HOFFMANN-LA ROCHE INC. 2006-09-07 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-20080269256-A1 PYRIDINE-2-CARBOXYAMIDE DERIVATIVES CNR2, CNR1, CHRNA2 ALDH1A1 656/4885SMN1; SMN2 181/4885MAPT 627/4885
US-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor HCRTR1, HCRTR2, NPY1R ALDH1A1 1458/4885SMN1; SMN2 2154/4885MAPT 557/4885
US-20170291897-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR HCRTR1, HCRTR2, NPY1R ALDH1A1 1458/4885SMN1; SMN2 2154/4885MAPT 557/4885
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders GRM3, GRM2, GRM1 ALDH1A1 2246/4885SMN1; SMN2 2636/4885MAPT 81/4885
US-20150051226-A1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS SLCO4C1, PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 1187/4885SMN1; SMN2 2505/4885MAPT 4402/4885
US-20140357653-A1 CHEMICAL COMPOUNDS HCRTR2, HCRTR1, NPY1R ALDH1A1 1588/4885SMN1; SMN2 2688/4885MAPT 4402/4885

“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.