SCHEMBL1848360

SCHEMBL1848360

N#Cc1cccc(OCC2CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.57
SLC6A4 P31645 6/20 0.57
SLC6A3 Q01959 3/20 0.57
HTR3A P46098 2/20 0.55
KCNH2 Q12809 2/20 0.55
SIGMAR1 Q99720 1/20 0.51
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
TBXAS1 P24557 1/20 0.46

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
SCHEMBL3251306 0.91 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL3605627 0.87 MET (0.52) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL2301711 0.85 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL3571031 0.85 TLR4 (0.46) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL4935728 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL3601894 0.82 DRD2 (0.50) SLC6A2SLC6A4SLC6A3SIGMAR1TBXAS1
SCHEMBL3159146 0.82 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL20581638 0.81 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL7387114 0.80 ALDH1A1 (0.72) SLC6A2SLC6A4SLC6A3TBXAS1
SCHEMBL8191126 0.80 ALDH1A1 (0.72) SLC6A2SLC6A4SLC6A3TBXAS1

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-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
EP-4059928-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-09-21 EP disclosed
CN-114728926-A ROCK inhibitor and preparation method and application thereof 武汉朗来科技发展有限公司 2022-07-08 CN disclosed
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 WO disclosed
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 WO disclosed
US-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-12-08 US disclosed
US-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-12-08 US disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
EP-2323985-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2011-05-25 EP disclosed
WO-2010017260-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2010-02-11 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 (2 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-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD SLC6A2 3195/4885SLC6A4 2621/4885SLC6A3 2980/4885
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 SLC6A2 1995/4885SLC6A4 1634/4885SLC6A3 2417/4885

“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.