SCHEMBL1861691

SCHEMBL1861691

CC1CCC(CCCCN(NCC[Si](C)(C)C)C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.35
PHF8 Q9UPP1 4/20 0.35
KDM2A Q9Y2K7 4/20 0.35
KDM4C Q9H3R0 3/20 0.35
KDM7A Q6ZMT4 1/20 0.35
HRH1 P35367 1/20 0.32
KDM4A O75164 1/20 0.31

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
SCHEMBL1863195 0.88 KDM5A (0.42) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL1866585 0.84 KDM5A (0.40) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL1864017 0.73 LMNA (0.43)
SCHEMBL3591158 0.70 KDM5A (0.40) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL1863287 0.70 KMT2A (0.31)
SCHEMBL18085460 0.65 HRH1 (0.30) HRH1
SCHEMBL6917343 0.64 EPHX1 (0.40)
SCHEMBL1861192 0.62 SIGMAR1 (0.52) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL3599925 0.61 KDM5A (0.42) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL26081423 0.61 SIGMAR1 (0.39) KDM5APHF8KDM2AKDM4CKDM7A

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-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE KDM5A 2261/4885PHF8 1652/4885KDM2A 2019/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE KDM5A 2261/4885PHF8 1652/4885KDM2A 2019/4885

“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.