SCHEMBL3591158

SCHEMBL3591158

CC1CCC(CCCCN(N)C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.40
PHF8 Q9UPP1 4/20 0.40
KDM2A Q9Y2K7 4/20 0.40
KDM4C Q9H3R0 3/20 0.40
KDM7A Q6ZMT4 1/20 0.40
SIGMAR1 Q99720 1/20 0.36
HRH1 P35367 1/20 0.35
KDM4A O75164 1/20 0.34
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3588549 0.84 KDM5A (0.47) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL3597712 0.83 KDM5A (0.40) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL3338716 0.83 SIGMAR1 (0.50) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL3599049 0.77 KDM5A (0.46) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL3616233 0.75 POLB (0.35) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL9423516 0.71 LMNA (0.32) LMNAMEN1KMT2A
SCHEMBL9423435 0.71 LMNA (0.32) LMNAMEN1KMT2A
SCHEMBL10323234 0.71 KDM5A (0.40) KDM5APHF8KDM2AKDM4CSIGMAR1
SCHEMBL1861691 0.70 KDM5A (0.35) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL10323213 0.69 KDM5A (0.41) KDM5APHF8KDM2AKDM4CSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 US disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 WO 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 KDM5A 1055/4885PHF8 1415/4885KDM2A 1766/4885
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.