SCHEMBL24983232

SCHEMBL24983232

Clc1nccc(O[C@@H]2CCOC2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.44
GRM5 P41594 3/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GRM4 Q14833 8/20 0.37
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
KRAS P01116 1/20 0.36
SOS1 Q07889 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
JAK3 P52333 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
SCHEMBL30849531 1.00 LRRK2 (0.44) LRRK2GRM5HDAC6GRM4PDE2A
SCHEMBL24983084 1.00 LRRK2 (0.44) LRRK2GRM5HDAC6GRM4PDE2A
SCHEMBL30849530 1.00 LRRK2 (0.44) LRRK2GRM5HDAC6GRM4PDE2A
SCHEMBL27231784 1.00 LRRK2 (0.44) LRRK2GRM5HDAC6GRM4PDE2A
SCHEMBL15577842 0.90 HDAC6 (0.45) LRRK2GRM5HDAC6GRM4
SCHEMBL2014472 0.87 KMO (0.40) LRRK2GRM5HDAC6
SCHEMBL3416862 0.83 LRRK2 (0.43) LRRK2GRM5HDAC6GRM4KRAS
SCHEMBL16667809 0.83 LRRK2 (0.43) LRRK2GRM5HDAC6GRM4KRAS
SCHEMBL3416856 0.83 LRRK2 (0.43) LRRK2GRM5HDAC6GRM4KRAS
SCHEMBL22576465 0.81 MALT1 (0.39) HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317725-A1 LPA1 SMALL MOLECULE ANTAGONIST TUOJIE BIOTECH (SHANGHAI) CO., LTD. (CN) 2024-09-26 US disclosed
EP-4375277-A1 LPA1 SMALL MOLECULE ANTAGONIST Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2024-05-29 EP disclosed
CN-117460721-A LPA1 small molecule antagonist 上海拓界生物医药科技有限公司 2024-01-26 CN disclosed
WO-2023001177-A1 LPA1 SMALL MOLECULE ANTAGONIST 上海拓界生物医药科技有限公司 2023-01-26 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 (1 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-20240317725-A1 LPA1 SMALL MOLECULE ANTAGONIST LPAR1, LPAR2, LPAR4 LRRK2 898/4885GRM5 2137/4885HDAC6 1171/4885

“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.