SCHEMBL5448451

SCHEMBL5448451

CCOC(=O)[C@H]1CC[C@H](Nc2ccc(CN3CCCCC3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.60
KDM4E B2RXH2 8/20 0.58
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.49
MET P08581 1/20 0.49
ALK Q9UM73 1/20 0.49

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
SCHEMBL5448454 1.00 HRH3 (0.60) HRH3KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL5434398 0.99 KDM4E (0.60) HRH3KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL5418453 0.99 KDM4E (0.60) HRH3KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL5418450 0.99 KDM4E (0.60) HRH3KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL21026161 0.83 KDM4E (0.53) HRH3KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL21025998 0.80 ALDH1A1 (0.49) HRH3KDM4EALDH1A1SMN1; SMN2MET
SCHEMBL29313717 0.80 ALDH1A1 (0.49) HRH3KDM4EALDH1A1SMN1; SMN2MET
SCHEMBL17053660 0.78 ALDH1A1 (0.60) HRH3KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL3322292 0.78 ALDH1A1 (0.50) KDM4EALDH1A1KMT2AATMNPC1
SCHEMBL5444084 0.78 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507484-B2 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-08-13 US disclosed
US-20070213361-A1 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases KYOWA KIRIN CO., LTD. (JP) 2007-09-13 US disclosed
EP-1724271-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR NEUTROPHILIC INFLAMMATION DISEASE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-22 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-20070213361-A1 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases MPO, MSR1, NR4A3 HRH3 165/4885KDM4E 3941/4885ALDH1A1 873/4885

“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.