SCHEMBL678952

SCHEMBL678952

CCC([O])C1CNCCO1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.39
SLC6A4 P31645 13/20 0.39
SLC6A3 Q01959 7/20 0.39
MLNR O43193 1/20 0.39
ADRB2 P07550 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3612800 0.85 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL27635464 0.81 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL28055180 0.81 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL27918060 0.81 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL3311169 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL3309411 0.78 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL197401 0.78
SCHEMBL6364403 0.77 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL1260399 0.77 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL6116212 0.77 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3MLNRADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403557-A Quinoline and quinazoline compounds as fourth-generation EGFR (epidermal growth factor receptor) inhibitor and application thereof 华东理工大学 2022-11-29 CN claimed
CN-107820496-B Tetracyclic 4-oxo-pyridine-3-carboxylic acid derivatives for the treatment and prevention of hepatitis B virus infections 豪夫迈·罗氏有限公司 2020-11-03 CN claimed
EP-3328855-B1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-05-15 EP claimed
EP-3072890-B1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI PHARMA INC (US) 2018-10-17 EP claimed
US-10053461-B2 Tetracyclic 4-oxo-pyridine-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2018-08-21 US claimed
EP-3328855-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION H. Hoffnabb-La Roche Ag (CH) 2018-06-06 EP claimed
US-20180127416-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-05-10 US claimed
EP-3215504-A1 NOVEL 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-09-13 EP claimed
US-9637485-B2 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-05-02 US claimed
WO-2017017042-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2017-02-02 WO claimed
US-8486939-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy PATHWAY THERAPEUTICS INC. (US) 2013-07-16 US claimed
EP-2532659-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy Pathway Therapeutics, Inc. (US) 2012-12-12 EP claimed
EP-2451802-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-05-16 EP claimed
US-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 US claimed
WO-2011005119-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 WO claimed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US claimed
US-6881737-B2 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. (US) 2005-04-19 US claimed
EP-1390354-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS Amgen Inc. (US) 2004-02-25 EP claimed
US-20030139416-A1 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. 2003-07-24 US claimed
WO-2002083653-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS AMGEN INC. (US) 2002-10-24 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 (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-10053461-B2 Tetracyclic 4-oxo-pyridine-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, CYP2B6, CYP7A1 SLC6A2 4715/4885SLC6A4 4656/4885SLC6A3 4222/4885
US-20030139416-A1 Substituted triazinyl acrylamide derivatives and methods of use PKD1, PKD2, GLS SLC6A2 1632/4885SLC6A4 113/4885SLC6A3 522/4885
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK SLC6A2 1239/4885SLC6A4 1142/4885SLC6A3 1120/4885
US-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY TYMP, TYMS, CCNI SLC6A2 4476/4885SLC6A4 3970/4885SLC6A3 3508/4885
US-20180127416-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP2B6, CYP7A1 SLC6A2 4691/4885SLC6A4 4674/4885SLC6A3 4243/4885

“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.