SCHEMBL14728651

SCHEMBL14728651

CN1CCCN(CC(=O)O)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
CHKA P35790 5/20 0.42
KMT2A Q03164 2/20 0.41
PAOX Q6QHF9 1/20 0.40
CA2 P00918 1/20 0.40
NCF1 P14598 1/20 0.40
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL19361138 1.00 SIGMAR1 (0.56) SIGMAR1HSD17B10ALDH1A1TSHRCHKA
SCHEMBL12605217 1.00 SIGMAR1 (0.56) SIGMAR1HSD17B10ALDH1A1TSHRCHKA
SCHEMBL14312080 1.00 SIGMAR1 (0.56) SIGMAR1HSD17B10ALDH1A1TSHRCHKA
SCHEMBL16855794 1.00 SIGMAR1 (0.56) SIGMAR1HSD17B10ALDH1A1TSHRCHKA
SCHEMBL12605349 0.93 SIGMAR1 (0.54) SIGMAR1HSD17B10ALDH1A1TSHRCHKA
SCHEMBL6862487 0.93 SIGMAR1 (0.50) SIGMAR1HSD17B10ALDH1A1TSHRCHKA
SCHEMBL17022247 0.93 SIGMAR1 (0.54) SIGMAR1HSD17B10ALDH1A1TSHRCHKA
SCHEMBL8038150 0.91 HSD17B10 (0.52) SIGMAR1HSD17B10ALDH1A1TSHRKMT2A
SCHEMBL9391670 0.91 HSD17B10 (0.52) SIGMAR1HSD17B10ALDH1A1TSHRKMT2A
SCHEMBL3626700 0.91 HSD17B10 (0.52) SIGMAR1HSD17B10ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2025-02-20 US disclosed
EP-4327886-A2 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF Libertas Bio, Inc. (US) 2024-02-28 EP disclosed
EP-3392252-B1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF LIBERTAS BIO INC (US) 2023-10-04 EP disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-11629134-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2023-04-18 US disclosed
CN-108699032-B Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders 默克专利有限公司 2022-07-22 CN disclosed
CN-113603675-A Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders 默克专利有限公司 2021-11-05 CN disclosed
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3889145-A1 8-CYANO-5-PIPERIDINO-QUINOLINES AS TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
WO-2017106607-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed
WO-2017095898-A1 USES OF PYRIMIDO-PYRIMIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 WO disclosed
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 US disclosed
US-20160257691-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF Libertas Bio, Inc. 2016-09-08 US disclosed
US-9382277-B2 Pyrimido-pyridazinone compounds and methods of use thereof ASANA BIOSCIENCES, LLC (US) 2016-07-05 US disclosed
US-8729079-B2 Pyrimido-pyridazinone compounds and methods of use thereof ENDO PHARMACEUTICALS INC. (US) 2014-05-20 US disclosed
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ENDO PHARMACEUTICALS INC (US) 2013-02-28 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 (7 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SIGMAR1 464/4885HSD17B10 3751/4885ALDH1A1 2648/4885
US-20160257691-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS SIGMAR1 2028/4885HSD17B10 2926/4885ALDH1A1 367/4885
US-11629134-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 SIGMAR1 464/4885HSD17B10 3751/4885ALDH1A1 2648/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP SIGMAR1 3904/4885HSD17B10 1449/4885ALDH1A1 146/4885
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SIGMAR1 464/4885HSD17B10 3751/4885ALDH1A1 2648/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SIGMAR1 581/4885HSD17B10 3851/4885ALDH1A1 2465/4885
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS SIGMAR1 2028/4885HSD17B10 2926/4885ALDH1A1 367/4885

“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.