SCHEMBL14725150

SCHEMBL14725150

CC(C)N1CCC(CC(N)=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.40
KCNH2 Q12809 2/20 0.40
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.36
PARP1 P09874 3/20 0.35
PARP2 Q9UGN5 3/20 0.35
HTR4 Q13639 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL20088227 0.89 HRH3 (0.36) HRH3KCNH2CYP2D6PARP1PARP2
SCHEMBL12095083 0.89 HRH3 (0.36) HRH3KCNH2CYP2D6PARP1PARP2
SCHEMBL14725147 0.82 HRH3 (0.41) HRH3KCNH2CYP2D6ALDH1A1HTR4
SCHEMBL1261174 0.82 HRH3 (0.44) HRH3KCNH2CYP2D6ALDH1A1ITGB3
SCHEMBL10331809 0.81 HRH3 (0.40) HRH3KCNH2CYP2D6ALDH1A1HTR4
Hydrochloric Acid SCHEMBL2942000 0.81 HRH3 (0.43) HRH3KCNH2CYP2D6ALDH1A1ITGB3
SCHEMBL13999390 0.80 HRH3 (0.39) HRH3KCNH2CYP2D6ALDH1A1HTR4
SCHEMBL3317297 0.79 CCR2 (0.40) KCNH2CYP2D6PARP1PARP2
SCHEMBL3319700 0.79 CCR2 (0.40) KCNH2CYP2D6PARP1PARP2
SCHEMBL3316372 0.79 CCR2 (0.40) KCNH2CYP2D6PARP1PARP2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066027-A1 NOVEL PAR-2 INHIBITORS DOMAIN THERAPEUTICS (FR) 2024-02-29 US disclosed
WO-2023233033-A1 NOVEL PAR-2 INHIBITORS DOMAIN THERAPEUTICS (FR) 2023-12-07 WO 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
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents GI Therapeutics, Inc. (US) 2020-11-10 US disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 US disclosed
US-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2019-04-25 US disclosed
US-10183944-B2 Pyrimido-pyridazinone compounds and methods of use thereof ASANA BIOSCIENCES, LLC (US) 2019-01-22 US disclosed
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 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-10183944-B2 Pyrimido-pyridazinone compounds and methods of use thereof THPO, TYMP, TYMS HRH3 866/4885KCNH2 2093/4885CYP2D6 133/4885
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD HRH3 3742/4885KCNH2 4779/4885CYP2D6 3417/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA HRH3 3893/4885KCNH2 4395/4885CYP2D6 2542/4885
US-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD HRH3 3572/4885KCNH2 4712/4885CYP2D6 2612/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP HRH3 2015/4885KCNH2 2545/4885CYP2D6 419/4885
US-20240066027-A1 NOVEL PAR-2 INHIBITORS F2RL1, F2R, F2RL3 HRH3 586/4885KCNH2 2460/4885CYP2D6 847/4885
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS HRH3 866/4885KCNH2 2093/4885CYP2D6 133/4885

“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.