SCHEMBL4081988

SCHEMBL4081988

CCOC(=O)c1ccnc(OCCN2C(=O)CCCN2CCC(=O)Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
JMJD6 Q6NYC1 1/20 0.35
CTSD P07339 2/20 0.35
BACE1 P56817 2/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
ALOX5 P09917 1/20 0.35
THRB P10828 1/20 0.35
PCSK9 Q8NBP7 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL4082482 0.88 PTGER4 (0.56) PTGER4PTGER2SMN1; SMN2ALDH1A1MAPT
SCHEMBL4087532 0.82 MAOB (0.44) PTGER4PTGER2ALDH1A1MAPTMEN1
SCHEMBL4085409 0.82 PTGER4 (0.43) PTGER4PTGER2SMN1; SMN2ALDH1A1MEN1
SCHEMBL4084905 0.79 PTGER4 (0.64) PTGER4PTGER2KDM4CCTSDBACE1
SCHEMBL27717957 0.78 KMT2A (0.47) PTGER4PTGER2ALDH1A1MAPTMEN1
SCHEMBL4087328 0.78 PTGER4 (0.44) PTGER4PTGER2MEN1KMT2A
SCHEMBL4087358 0.77 PTGER4 (0.55) PTGER4PTGER2MEN1KMT2A
SCHEMBL28771821 0.77 KMT2A (0.48) PTGER4PTGER2ALDH1A1MAPTMEN1
SCHEMBL4087365 0.76 PTGER4 (0.49) PTGER4PTGER2MEN1KMT2ACTSD
SCHEMBL4080279 0.75 ALDH1A1 (0.40) PTGER4PTGER2SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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 (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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 PTGER4 33/4885PTGER2 39/4885SMN1; SMN2 951/4885

“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.