SCHEMBL9945009

SCHEMBL9945009

CCCNC(=O)c1cc(N)c(NC2(C)CC2)cc1N(C)CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 2/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 2/20 0.32
ADRA2A P08913 2/20 0.32
CYP2D6 P10635 2/20 0.32
DRD3 P35462 2/20 0.32
SLC22A1 O15245 2/20 0.32
LMNA P02545 2/20 0.32
ACHE P22303 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
MPO P05164 1/20 0.32

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
SCHEMBL9945008 0.83 LMNA (0.39) ALDH1A1POLBPTGS1PTGS2L3MBTL1
SCHEMBL9946632 0.78 CFTR (0.33)
SCHEMBL9944996 0.72 EZH2 (0.37) ALDH1A1KDM4EHPGDPOLBL3MBTL1
SCHEMBL9944853 0.67 ALOX15 (0.34) ALDH1A1KDM4EHPGDPTGS1THRB
SCHEMBL9945007 0.64 NPC1 (0.40) ALDH1A1POLBLMNARAB9ASMN1; SMN2
SCHEMBL17774817 0.64 HTR2A (0.46) ALDH1A1KDM4EHPGDPOLBL3MBTL1
SCHEMBL9944975 0.64 HSD17B10 (0.40) ALDH1A1KDM4EPOLBRECQLTDP1
SCHEMBL9944930 0.63 RAB9A (0.41) RAB9A
SCHEMBL9944990 0.63 KIF18A (0.36) ALDH1A1KDM4EPOLBL3MBTL1THRB
SCHEMBL9944839 0.63 ALOX15 (0.40) ALDH1A1ADRA1DADRA1AADRA1BALOX15

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.