SCHEMBL6500331

SCHEMBL6500331

NC(=O)OC1CCNCC1OC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A1 P30531 4/20 0.35
SLC6A11 P48066 3/20 0.35
SLC6A13 Q9NSD5 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRB2 P47870 3/20 0.35
SLC6A12 P48065 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRR1 P24046 1/20 0.35
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32

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
Hydrochloric Acid SCHEMBL6500560 0.98 KDM4E (0.38) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL28920829 0.89 HTR3A (0.36) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL28867557 0.89 HTR3A (0.36) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL28687094 0.84 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL28542900 0.84 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL28713464 0.84 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL28546245 0.84 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL28671454 0.84 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL28789212 0.84 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL28667409 0.84 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 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-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 KDM4E 1928/4885MAPT 4846/4885KMT2A 3458/4885

“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.