SCHEMBL897372

SCHEMBL897372

O=C1CN(C2CCCC2)CCN1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CDA P32320 1/20 0.43
OPRM1 P35372 4/20 0.42
OPRK1 P41145 3/20 0.42
OGFRL1 Q5TC84 3/20 0.42
OPRD1 P41143 2/20 0.42
OPRL1 P41146 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
HTR6 P50406 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
PDE7A Q13946 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL12309944 0.98 KMT2A (0.49) KMT2AKDM4EALDH1A1CDAOPRM1
SCHEMBL6896207 0.96 KMT2A (0.46) KMT2AKDM4EALDH1A1CDAOPRM1
SCHEMBL22151854 0.92 IRAK4 (0.45) KMT2AKDM4EALDH1A1CDAOPRM1
SCHEMBL12310011 0.89 KMT2A (0.44) KMT2AKDM4EALDH1A1CDAOPRM1
SCHEMBL13640035 0.86 CDA (0.45) KMT2AKDM4EALDH1A1CDAOPRM1
Hydrochloric Acid SCHEMBL1903050 0.85 CDA (0.44) KMT2AKDM4EALDH1A1CDAOPRM1
SCHEMBL30366303 0.85 CDA (0.41) KMT2AKDM4EALDH1A1CDAOPRM1
SCHEMBL23466508 0.83 CDA (0.47) KMT2AKDM4EALDH1A1CDAOPRM1
SCHEMBL14441585 0.83 IRAK4 (0.44) KMT2AKDM4EALDH1A1CDAOPRM1
SCHEMBL13931124 0.83 PDE7A (0.46) KMT2AKDM4EALDH1A1CDAOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
CN-112920199-B Piperazinone substituent or derivative thereof, preparation method and application thereof, and pharmaceutical composition 四川大学 2023-02-03 CN disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
CN-112920199-A Piperazinone substituent or derivative thereof, and preparation method, application and pharmaceutical composition thereof 四川大学 2021-06-08 CN disclosed
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed
US-20160340308-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-24 US disclosed
US-9440922-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-13 US disclosed
EP-2441753-B1 TETRACYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-03-30 EP disclosed
EP-2975024-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-20 EP disclosed
US-9126931-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-09-08 US disclosed
US-20150150845-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 US 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 (5 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 KMT2A 609/4885KDM4E 903/4885ALDH1A1 1165/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 KMT2A 609/4885KDM4E 903/4885ALDH1A1 1165/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 KMT2A 609/4885KDM4E 903/4885ALDH1A1 1165/4885
US-20160340308-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 KMT2A 609/4885KDM4E 903/4885ALDH1A1 1165/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 KMT2A 609/4885KDM4E 903/4885ALDH1A1 1165/4885

“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.