SCHEMBL8625402

SCHEMBL8625402

CCN(CCO)CCC[C@H](C)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.38
PLA2G1B P04054 1/20 0.37
PLA2G2A P14555 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
LMNA P02545 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 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
SCHEMBL18283422 1.00 OPRM1 (0.41) OPRM1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL5787559 1.00 OPRM1 (0.41) OPRM1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL29881672 1.00 OPRM1 (0.41) OPRM1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL23904632 0.90 OPRM1 (0.41) OPRM1TP53ALDH1A1TDP1GABRP
SCHEMBL417108 0.85 OPRM1 (0.50) OPRM1TP53PLA2G1BPLA2G2ASIGMAR1
SCHEMBL3856709 0.85 OPRM1 (0.50) OPRM1TP53PLA2G1BPLA2G2ASIGMAR1
SCHEMBL3856955 0.85 OPRM1 (0.50) OPRM1TP53PLA2G1BPLA2G2ASIGMAR1
SCHEMBL29881540 0.85 OPRM1 (0.50) OPRM1TP53PLA2G1BPLA2G2ASIGMAR1
SCHEMBL21307765 0.83 OPRM1 (0.50) OPRM1TP53PLA2G1BPLA2G2ASIGMAR1
SCHEMBL18292460 0.83 CYP1A2 (0.44) OPRM1CYP1A2CYP2C9HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515935-B Treatment or prevention of coronavirus infection 中美华世通生物医药科技(武汉)股份有限公司 2025-01-07 CN disclosed
CN-115515935-A Treatment or prevention of coronavirus infection 中美华世通生物医药科技(武汉)股份有限公司 2022-12-23 CN disclosed
CN-111803501-B Use of chiral chloroquine hydroxychloroquine for reducing cardiotoxicity 南方科技大学 2022-10-18 CN disclosed
CN-114057640-A Asymmetric synthesis method of optically pure (R)/(S) -hydroxychloroquine side chain 凯特立斯(深圳)科技有限公司 2022-02-18 CN disclosed
CN-114057640-A Asymmetric synthesis method of optically pure (R)/(S) -hydroxychloroquine side chain 凯特立斯(深圳)科技有限公司 2022-02-18 CN disclosed
US-20210052553-A1 Use of Clemizole Compounds for Treatment of Inflammatory Conditions EIGER GROUP INTERNATIONAL, INC. 2021-02-25 US disclosed
CN-111803501-A Application of chiral chloroquine hydroxychloroquine or salt thereof as anti-coronavirus drug target 3CL hydrolase inhibitor for reducing cardiotoxicity 南方科技大学 2020-10-23 CN disclosed
CN-111793026-A Hydroxychloroquine sulfate, crystal form of enantiomer thereof and preparation method of crystal form 珠海润都制药股份有限公司 2020-10-20 CN disclosed
US-10688083-B2 Use of chloroquine and clemizole compounds for treatment of inflammatory and cancerous conditions EIGER GROUP INTERNATIONAL, INC. (US) 2020-06-23 US disclosed
US-10647677-B2 Analogues of hydroxychloroquine (HCQ) without retinal toxicity INOVIEM SCIENTIFIC (FR) 2020-05-12 US disclosed
WO-2019165337-A1 HIGH-YIELDING CONTINUOUS FLOW SYNTHESIS OF ANTIMALARIAL DRUG HYDROXYCHLOROQUINE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2019-08-29 WO disclosed
US-20180200228-A1 Use of Chloroquine and Clemizole Compounds for Treatment of Inflammatory and Cancerous Conditions EIGER GROUP INTERNATIONAL, INC. 2018-07-19 US disclosed
EP-3303295-A2 ANALOGUES OF HYDROXYCHLOROQUINE (HCQ) WITHOUT RETINAL TOXICITY Inoviem Scientific (FR) 2018-04-11 EP disclosed
WO-2016193503-A2 ANALOGUES OF HYDROXYCHLOROQUINE (HCQ) WITHOUT RETINAL TOXICITY INOVIEM SCIENTIFIC (FR) 2016-12-08 WO disclosed
CN-105693606-A Asymmetric synthesis method of optically pure (R)/(S)-hydroxychloroquine 西安科技大学 2016-06-22 CN disclosed
EP-0588430-B1 Use of (S)-(+)-Hydroxychloroquine SANOFI SA (FR) 1998-05-27 EP disclosed
US-5314894-A (S)-(+)-hydroxychloroquine STERLING WINTHROP INC. (US) 1994-05-24 US disclosed
EP-0588430-A1 (S)-(+)-Hydroxychloroquine STERLING WINTHROP INC. (US) 1994-03-23 EP 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-10647677-B2 Analogues of hydroxychloroquine (HCQ) without retinal toxicity SSB, UACA, XPA OPRM1 4515/4885CYP1A2 1963/4885CYP2C9 486/4885

“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.