SCHEMBL567685

SCHEMBL567685

C[C@@H]1CN(C(=O)OC(C)(C)C)CCCCN1S(=O)(=O)c1ccc2cnccc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.49
MMP9 P14780 2/20 0.49
MMP13 P45452 2/20 0.49
GPR119 Q8TDV5 10/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
ADAM17 P78536 1/20 0.44
CYP2C9 P11712 1/20 0.42
ROCK2 O75116 6/20 0.42
ROCK1 Q13464 6/20 0.42
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL567645 1.00 MMP1 (0.49) MMP1MMP9MMP13GPR119MMP3
SCHEMBL567644 1.00 MMP1 (0.49) MMP1MMP9MMP13GPR119MMP3
SCHEMBL567358 0.99 MMP1 (0.48) MMP1MMP9MMP13GPR119MMP3
SCHEMBL567256 0.99 MMP1 (0.48) MMP1MMP9MMP13GPR119MMP3
SCHEMBL567257 0.99 MMP1 (0.48) MMP1MMP9MMP13GPR119MMP3
SCHEMBL567993 0.98 MMP13 (0.51) MMP1MMP9MMP13GPR119MMP3
SCHEMBL567577 0.98 MMP13 (0.51) MMP1MMP9MMP13GPR119MMP3
SCHEMBL567576 0.98 MMP13 (0.51) MMP1MMP9MMP13GPR119MMP3
SCHEMBL568116 0.94 MMP1 (0.49) MMP1MMP9MMP13GPR119MMP3
SCHEMBL568117 0.94 MMP1 (0.49) MMP1MMP9MMP13GPR119MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12286417-B2 1,4-diazocane compound or salt thereof D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2025-04-29 US disclosed
US-20210371396-A1 1,4-DIAZOCANE COMPOUND OR SALT THEREOF D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2021-12-02 US disclosed
US-20210371396-A1 1,4-DIAZOCANE COMPOUND OR SALT THEREOF D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2021-12-02 US disclosed
EP-3875449-A1 1,4-DIAZOCANE COMPOUND OR SALT THEREOF D. Western Therapeutics Institute, Inc. (JP) 2021-09-08 EP disclosed
EP-3875449-A1 1,4-DIAZOCANE COMPOUND OR SALT THEREOF D. Western Therapeutics Institute, Inc. (JP) 2021-09-08 EP disclosed
CN-113166044-A 1, 4-diazacyclooctane compounds or salts thereof 株式会社D.西医疗法研究所 2021-07-23 CN disclosed
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 EP disclosed
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 EP disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US disclosed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP disclosed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US disclosed
WO-2010146881-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE 株式会社デ・ウエスタン・セラピテクス研究所 (JP) 2010-12-23 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 (3 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-12286417-B2 1,4-diazocane compound or salt thereof SULT1E1, SULT1A1, SULT2A1 MMP1 3549/4885MMP9 2500/4885MMP13 4719/4885
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 MMP1 4000/4885MMP9 4791/4885MMP13 4729/4885
US-20210371396-A1 1,4-DIAZOCANE COMPOUND OR SALT THEREOF SULT1E1, SULT1A1, SULT2A1 MMP1 3549/4885MMP9 2500/4885MMP13 4719/4885

“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.