SCHEMBL222424

SCHEMBL222424

c1cnc2c(c1)CCC[N]2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
NOS3 P29474 2/20 0.36
SIGMAR1 Q99720 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KMT2A Q03164 2/20 0.33
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC1 Q13547 1/20 0.31

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
SCHEMBL7020416 0.96 TSHR (0.42) TSHRNOS3SIGMAR1NOS1NOS2
SCHEMBL331738 0.87
SCHEMBL29405362 0.71 TSHR (0.48) TSHRNOS3SIGMAR1NOS1NOS2
SCHEMBL26989 0.71 TSHR (0.48) TSHRNOS3SIGMAR1NOS1NOS2
SCHEMBL30731355 0.70 TSHR (0.46) TSHRNOS3SIGMAR1NOS1NOS2
SCHEMBL830033 0.70 TSHR (0.46) TSHRNOS3SIGMAR1NOS1NOS2
SCHEMBL29811187 0.70 TSHR (0.46) TSHRNOS3SIGMAR1NOS1NOS2
SCHEMBL30075870 0.70 TSHR (0.46) TSHRNOS3SIGMAR1NOS1NOS2
Hydrochloric Acid SCHEMBL5058971 0.70 TSHR (0.46) TSHRNOS3SIGMAR1NOS1NOS2
SCHEMBL3991228 0.70 TSHR (0.46) TSHRNOS3SIGMAR1NOS1NOS2

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 1296 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US claimed
CN-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 CN claimed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO claimed
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 EP claimed
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2022-12-27 US claimed
WO-2022026892-A1 PIPERIDIN-1- YL-N-PYRYDI NE-3-YL-2-OXOACET AM IDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MT A-ACCUMULATING CANCERS TANGO THERAPEUTICS, INC. (US) 2022-02-03 WO claimed
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-08-05 US claimed
CN-113135930-A Furopyridone imidazole compound and preparation method and application thereof 上海济煜医药科技有限公司 2021-07-20 CN claimed
CN-112778277-A Cyclic ketopyridone biaromatic ring compound and preparation method and application thereof 江西济民可信集团有限公司 2021-05-11 CN claimed
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-01-28 US claimed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US claimed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO claimed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO claimed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US claimed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US claimed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 WO claimed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US claimed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP claimed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US claimed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC TSHR 2749/4885NOS3 76/4885SIGMAR1 1627/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR TSHR 2541/4885NOS3 267/4885SIGMAR1 2397/4885
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA TSHR 1683/4885NOS3 3505/4885SIGMAR1 1182/4885
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA TSHR 4788/4885NOS3 1986/4885SIGMAR1 3143/4885
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL TSHR 2914/4885NOS3 1665/4885SIGMAR1 1135/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR TSHR 2541/4885NOS3 267/4885SIGMAR1 2397/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 TSHR 3190/4885NOS3 17/4885SIGMAR1 1803/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL TSHR 2914/4885NOS3 1665/4885SIGMAR1 1135/4885
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA TSHR 1683/4885NOS3 3505/4885SIGMAR1 1182/4885

“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.