SCHEMBL3407827

SCHEMBL3407827

COC(=O)c1cc(N2CCC(C)(O)CC2)nc(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.39
HSD11B1 P28845 1/20 0.37
LMNA P02545 1/20 0.37
CRBN Q96SW2 3/20 0.36
NQO2 P16083 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
PTPN11 Q06124 1/20 0.35
ROCK2 O75116 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OGA O60502 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL2178736 0.85 LMNA (0.40) LMNANQO2KDM4EMEN1KMT2A
SCHEMBL3412871 0.84 SMN1; SMN2 (0.41) LMNANQO2KDM4EMEN1KMT2A
SCHEMBL593003 0.83 PIK3CB (0.48) KDM4EMEN1KMT2AALDH1A1CYP2D6
SCHEMBL27440962 0.83 HRH4 (0.52) KDM4EMEN1KMT2AUSP2ALDH1A1
Hydrochloric Acid SCHEMBL5222812 0.79 LMNA (0.46) LMNANQO2KDM4EMEN1KMT2A
SCHEMBL14743500 0.77 FPR2 (0.39) LMNANQO2ALDH1A1
SCHEMBL27821087 0.77 PTGER4 (0.36) PTGER4HSD11B1LMNAALDH1A1PTPN11
SCHEMBL981616 0.77 HTR4 (0.40) KDM4EMEN1KMT2AUSP2ALDH1A1
SCHEMBL19072335 0.76 NAPEPLD (0.42) LMNA
SCHEMBL3711381 0.76 CKS1B (0.46) MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB PTGER4 1866/4885HSD11B1 396/4885LMNA 643/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB PTGER4 2003/4885HSD11B1 392/4885LMNA 635/4885

“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.