SCHEMBL10286331

SCHEMBL10286331

O[C@@H]1CCCCc2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.44
OPRL1 P41146 9/20 0.43
KCNH2 Q12809 9/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CXCR4 P61073 3/20 0.38
CYP2D6 P10635 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL10286334 1.00 P2RX7 (0.44) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL2171553 1.00 P2RX7 (0.44) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL30979862 1.00 P2RX7 (0.44) P2RX7OPRL1KCNH2HDAC1HDAC6
Hydrochloric Acid SCHEMBL9741792 0.98 P2RX7 (0.44) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL10286357 0.95 P2RX7 (0.45) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL1514902 0.95 P2RX7 (0.45) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL29472109 0.95 P2RX7 (0.45) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL5021376 0.95 P2RX7 (0.45) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL3314142 0.87 OPRL1 (0.49) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL17549915 0.87 OPRL1 (0.49) P2RX7OPRL1KCNH2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079890-A Ruimei gem Process for the preparation of intermediates 2026-05-26 CN disclosed
CN-118272333-A Biosynthesis method of zimetapam intermediate 浙江宏元药业股份有限公司 2024-07-02 CN disclosed
CN-118272333-A Biosynthesis method of zimetapam intermediate 浙江宏元药业股份有限公司 2024-07-02 CN disclosed
CN-115060824-B Liquid chromatography detection method for enantiomer impurities of ramiazepam intermediate 浙江宏元药业股份有限公司 2024-03-12 CN disclosed
CN-115060824-B Liquid chromatography detection method for enantiomer impurities of ramiazepam intermediate 浙江宏元药业股份有限公司 2024-03-12 CN disclosed
CN-115677694-A Synthetic method of rimazepam 南通常佑药业科技有限公司 2023-02-03 CN disclosed
CN-115677694-A Synthetic method of rimazepam 南通常佑药业科技有限公司 2023-02-03 CN disclosed
CN-114805206-A Industrial preparation method of high-optical-purity rimantapam intermediate 奥锐特药业(天津)有限公司 2022-07-29 CN disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 WO disclosed
WO-2009126530-A2 CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-15 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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO P2RX7 445/4885OPRL1 3991/4885KCNH2 2160/4885

“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.