SCHEMBL968790

SCHEMBL968790

CC(C)(C)C(=O)Nc1cccc(Br)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.51
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
ADORA1 P30542 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NTRK1 P04629 1/20 0.44
RAB9A P51151 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
GBA1 P04062 1/20 0.41

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
SCHEMBL29581363 1.00 GRM5 (0.51) GRM5CHRNB2CHRNA4ADORA1CYP1A2
SCHEMBL921576 0.87 L3MBTL1 (0.54) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL318649 0.83 GRM5 (0.48) GRM5CHRNB2CHRNA4L3MBTL1NTRK1
SCHEMBL10691207 0.81 ADORA1 (0.46) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13489802 0.81 ADORA1 (0.48) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19718960 0.81 ADORA1 (0.48) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL126159 0.81 RAB9A (0.68) GRM5RAB9APOLBMEN1GBA1
SCHEMBL30485981 0.81 RAB9A (0.68) GRM5RAB9APOLBMEN1GBA1
SCHEMBL1432533 0.80 KDM4E (0.61) GRM5CHRNB2CHRNA4ADORA1NTRK1
SCHEMBL336194 0.80 SORT1 (0.50) GRM5ADORA1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981854-B Synthesis method of 2-amino-6- (1-alkyl piperidine-4-carbonyl) pyridine compound 南京三元阳普医药科技有限公司 2023-03-28 CN claimed
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 US claimed
US-6469172-B2 2-AMINO-6-((4-AMINOPIPERIDIN-1-YL)METHYL)PYRIDINE; CHEMICAL INTERMEDIATE FOR MUSCARINIC M3 RECEPTOR ANTAGONISTS; ACYLATION OF 2-AMINO-6-BROMOPYRIDINE WITH TRIMETHYLACETIC ACID MERCK & CO., INC. 2002-10-22 US claimed
US-20010051727-A1 Process for the preparation of chemical compounds MERCK& CO., INC. 2001-12-13 US claimed
EP-3994131-B1 2,2-DIMETHYL-N-[6-(1-METHYL-PIPERIDIN-4-CARBONYL)-PYRIDIN-2-YL]-PROPIONAMIDE, METHOD FOR PREPARING (6-AMINO-PYRIDIN-2-YL)-(1-METHYL-PIPERIDIN-4-YL)-METHANONE USING SAID COMPOUND, AND USE OF SAID COMPOUND IN THE PREPARATION OF LASMIDITAN MOEHS IBERICA SL (ES) 2023-05-24 EP disclosed
EP-3994131-B1 2,2-DIMETHYL-N-[6-(1-METHYL-PIPERIDIN-4-CARBONYL)-PYRIDIN-2-YL]-PROPIONAMIDE, METHOD FOR PREPARING (6-AMINO-PYRIDIN-2-YL)-(1-METHYL-PIPERIDIN-4-YL)-METHANONE USING SAID COMPOUND, AND USE OF SAID COMPOUND IN THE PREPARATION OF LASMIDITAN MOEHS IBERICA SL (ES) 2023-05-24 EP disclosed
CN-110981854-B Synthesis method of 2-amino-6- (1-alkyl piperidine-4-carbonyl) pyridine compound 南京三元阳普医药科技有限公司 2023-03-28 CN disclosed
US-20220306601-A1 2,2-DIMETHYL-N-[6-(1-METHYL-PIPERIDIN-4-CARBONYL)-PYRIDIN-2-YL]-PROPIONAMIDE, METHOD FOR PREPARING (6-AMINO-PYRIDIN-2-YL)-(1-METHYL-PIPERIDIN-4-YL)-METHANONE USING SAID COMPOUND, AND USE OF SAID COMPOUND IN THE PREPARATION OF LASMIDITAN MOEHS IBERICA, S.L. (ES) 2022-09-29 US disclosed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
WO-2021001350-A1 2,2-DIMETHYL-N-[6-(1-METHYL-PIPERIDIN-4-CARBONYL)-PYRIDIN-2-YL]-PROPIONAMIDE, METHOD FOR PREPARING (6-AMINO-PYRIDIN-2-YL)-(1-METHYL-PIPERIDIN-4-YL)-METHANONE USING SAID COMPOUND, AND USE OF SAID COMPOUND IN THE PREPARATION OF LASMIDITAN MOEHS IBERICA, S.L. (ES) 2021-01-07 WO disclosed
EP-3749305-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Université de Strasbourg (FR) 2020-12-16 EP disclosed
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 CN disclosed
CN-1323211-A New pharmaceutical use of NOS inhibitors PFIZER PROD INC (US) 2001-11-21 CN disclosed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO disclosed
CN-1268133-A 2-Aminopyridines containing fused ring substituents as NOS inhibitors PFIZER PROD INC (US) 2000-09-27 CN disclosed
CN-1268122-A Branched alkoxy- substituted 2-aminopyridines as NOS inhibitors PFIZER PROD INC (US) 2000-09-27 CN disclosed
EP-1007512-A1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 EP disclosed
EP-1007520-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 EP disclosed
WO-1999011620-A1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS PFIZER PRODUCTS INC. (US) 1999-03-11 WO disclosed
WO-1999010339-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS PFIZER PRODUCTS INC. (US) 1999-03-04 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 (4 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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 GRM5 266/4885CHRNB2 748/4885CHRNA4 540/4885
US-20220306601-A1 2,2-DIMETHYL-N-[6-(1-METHYL-PIPERIDIN-4-CARBONYL)-PYRIDIN-2-YL]-PROPIONAMIDE, METHOD FOR PREPARING (6-AMINO-PYRIDIN-2-YL)-(1-METHYL-PIPERIDIN-4-YL)-METHANONE USING SAID COMPOUND, AND USE OF SAID COMPOUND IN THE PREPARATION OF LASMIDITAN PMP22, PLP2, PTMA GRM5 919/4885CHRNB2 938/4885CHRNA4 921/4885
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD GRM5 603/4885CHRNB2 4806/4885CHRNA4 4677/4885
US-20010051727-A1 Process for the preparation of chemical compounds CHRM3, CHRM5, CHRM2 GRM5 187/4885CHRNB2 23/4885CHRNA4 17/4885

“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.