SCHEMBL3856709

SCHEMBL3856709

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
PLA2G1B P04054 1/20 0.43
PLA2G2A P14555 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CACNA2D1 P54289 9/20 0.36
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.33
SLC2A1 P11166 1/20 0.31

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
SCHEMBL417108 1.00 OPRM1 (0.50) OPRM1PLA2G1BPLA2G2ASIGMAR1TP53
SCHEMBL3856955 1.00 OPRM1 (0.50) OPRM1PLA2G1BPLA2G2ASIGMAR1TP53
SCHEMBL29881540 1.00 OPRM1 (0.50) OPRM1PLA2G1BPLA2G2ASIGMAR1TP53
Ammonia Solution, Strong SCHEMBL17473691 0.98 OPRM1 (0.48) OPRM1PLA2G1BPLA2G2ASIGMAR1TP53
SCHEMBL4708786 0.93 OPRM1 (0.54) OPRM1PLA2G1BPLA2G2ASIGMAR1TP53
SCHEMBL8995127 0.91 OPRM1 (0.52) OPRM1PLA2G1BPLA2G2ASIGMAR1TP53
SCHEMBL21307765 0.89 OPRM1 (0.50) OPRM1PLA2G1BPLA2G2ASIGMAR1TP53
Octodrine SCHEMBL8343075 0.88 OPRM1 (0.40) OPRM1PLA2G1BPLA2G2ASIGMAR1TP53
SCHEMBL18283422 0.85 OPRM1 (0.41) OPRM1PLA2G1BPLA2G2ASIGMAR1TP53
SCHEMBL5787559 0.85 OPRM1 (0.41) OPRM1PLA2G1BPLA2G2ASIGMAR1TP53

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112225697-B Preparation method of enantiomer pure chloroquine and chloroquine phosphate 宁波大学 2023-01-03 CN claimed
US-20240398761-A1 Use of Chloroquine Compounds for Treatment of Inflammatory Conditions EIGER GROUP INTERNATIONAL, INC. 2024-12-05 US disclosed
US-12090141-B2 Use of clemizole compounds for treatment of inflammatory conditions EIGER GROUP INTERNATIONAL, INC. (US) 2024-09-17 US disclosed
CN-114591251-B Chiral aminoquinazoline compound, and preparation method and application thereof 华南理工大学 2023-06-20 CN disclosed
CN-112225697-B Preparation method of enantiomer pure chloroquine and chloroquine phosphate 宁波大学 2023-01-03 CN disclosed
CN-112225697-B Preparation method of enantiomer pure chloroquine and chloroquine phosphate 宁波大学 2023-01-03 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-114591251-A Chiral aminoquinazoline compound and preparation method and application thereof 华南理工大学 2022-06-07 CN disclosed
CN-113274386-A Use of chloroquine and clemizole compounds for the treatment of inflammation and cancer 艾格集团国际公司 2021-08-20 CN disclosed
CN-107922404-B Use of chloroquine and clemizole compounds for the treatment of inflammation and cancer 艾格集团国际公司 2021-06-29 CN 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
CN-107922404-A Use of chloroquine and clemizole compounds for the treatment of inflammation and cancer 艾格集团国际公司 2018-04-17 CN disclosed
EP-1687275-A4 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO INC (US) 2009-01-14 EP disclosed
US-20070099950-A1 Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain AGT SCIENCE LIMITED (GB) 2007-05-03 US disclosed
CN-1882546-A Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain MERCK & CO INC (US) 2006-12-20 CN disclosed
EP-1687275-A1 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN Merck & Co., Inc. (US) 2006-08-09 EP disclosed
WO-2005051915-A1 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-06-09 WO 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-20070099950-A1 Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain PER2, CNR2, OPRD1 OPRM1 53/4885PLA2G1B 2144/4885PLA2G2A 2627/4885

“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.