SCHEMBL3286915

SCHEMBL3286915

CC(C)(C)CCCC(C)(C)CN

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL524335 0.84 CYP2D6 (0.60) CYP2D6KDM4E
SCHEMBL24201112 0.83 CYP2D6 (0.45) CYP2D6KDM4E
SCHEMBL14456599 0.81 CYP2D6 (0.56) CYP2D6KDM4E
SCHEMBL21659886 0.80 CYP2D6 (0.33) CYP2D6
SCHEMBL296447 0.79
SCHEMBL5432822 0.77 CYP2D6 (0.69) CYP2D6KDM4E
SCHEMBL1615049 0.77 TSHR (0.39)
SCHEMBL831341 0.77 CYP2D6 (0.50) CYP2D6
SCHEMBL3639921 0.77
SCHEMBL7483482 0.74 CYP2D6 (0.47) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212057-A1 COMPOSITIONS OF KINETIC NANOPARTICLES CONTAINING NUCLEIC ACIDS, POLYCATIONS AND LIPIDS THE JOHNS HOPKINS UNIVERSITY (US) 2023-11-02 WO disclosed
US-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 US disclosed
US-9719125-B2 Sampling devices and methods for concentrating microorganisms 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-08-01 US disclosed
US-20120003626-A1 SAMPLING DEVICES AND METHODS FOR CONCENTRATING MICROORGANISMS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2012-01-05 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 (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-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 CYP2D6 162/4885KDM4E 3207/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 CYP2D6 213/4885KDM4E 3214/4885

“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.