SCHEMBL9944877

SCHEMBL9944877

CCNc1cc(N2CCC(C)CC2)c(C(=O)OCC)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGER4 P35408 1/20 0.42
LGMN Q99538 2/20 0.42
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
NR4A1 P22736 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BRPF1 P55201 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.39
GPR174 Q9BXC1 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL9944760 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL9944762 0.85 GAA (0.51) ALDH1A1KDM4EHPGDMAPTLGMN
SCHEMBL9944873 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL9944876 0.83 GPR174 (0.52) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL9947061 0.78 PTGER4 (0.37) ALDH1A1KDM4EHPGDKMT2ATDP1
SCHEMBL9944799 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL9897728 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL9944759 0.75 GPR174 (0.52) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL9944847 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL9944865 0.75 LMNA (0.49) ALDH1A1KDM4EHPGDLGMNGAA

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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 (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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES ALDH1A1 126/4885KDM4E 3442/4885HPGD 20/4885

“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.