SCHEMBL6399337

SCHEMBL6399337

SC1CCN(c2ncccn2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
DRD2 P14416 5/20 0.40
DRD4 P21917 5/20 0.40
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
HTR1A P08908 1/20 0.38
USP30 Q70CQ3 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
SCHEMBL6402198 0.78 PLD1 (0.50) KDM4ECYP2C19ALDH1A1MAPTDRD2
SCHEMBL4760428 0.76 DYRK1A (0.49) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL5485755 0.76 KDM4E (0.53) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL18239359 0.76 DYRK1A (0.49) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL26700624 0.76 DYRK1A (0.49) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL30743834 0.76 KDM4E (0.53) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL13703144 0.76 DYRK1A (0.49) KDM4ECYP2C19ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL18228230 0.74 DYRK1A (0.48) KDM4ECYP2C19ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL26086988 0.74 DYRK1A (0.48) KDM4ECYP2C19ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL26086991 0.74 DYRK1A (0.48) KDM4ECYP2C19ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050037919-A1 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2005-02-17 US disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 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 (2 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 KDM4E 1902/4885CYP2C19 3170/4885ALDH1A1 1862/4885
US-20050037919-A1 Metallocenes and catalyst compositions derived therefrom HMOX1, RTF1, OPRM1 KDM4E 4555/4885CYP2C19 2209/4885ALDH1A1 376/4885

“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.