SCHEMBL2487736

SCHEMBL2487736

CCOC(=O)c1ccc2c3ccccc3n(CC)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.59
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
ATM Q13315 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NPSR1 Q6W5P4 2/20 0.53
SCARB1 Q8WTV0 1/20 0.53
MAPT P10636 4/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HCRTR1 O43613 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAT2A P31153 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL15865717 0.92 PTGER4 (0.65) PTGER4KDM4EALDH1A1L3MBTL1GAA
SCHEMBL27722947 0.82 ALDH1A1 (0.65) PTGER4KDM4EALDH1A1GAAHPGD
SCHEMBL21135536 0.82 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL29808829 0.82 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL7457374 0.80 CNR2 (0.62) PTGER4KDM4EALDH1A1GAAHPGD
SCHEMBL15865704 0.79 CNR2 (0.59) PTGER4KDM4EALDH1A1HPGDSCARB1
SCHEMBL4728729 0.79 PTGER4 (0.69) PTGER4KDM4EALDH1A1HPGDNPSR1
SCHEMBL5797538 0.79 MAPT (0.55) PTGER4KDM4EALDH1A1HPGDSCARB1
SCHEMBL5323335 0.79 KDM4E (0.64) PTGER4KDM4EALDH1A1HPGDALOX15
SCHEMBL12804727 0.79 HDAC6 (0.60) KDM4EALDH1A1GAANPSR1MAPT

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-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
EP-1923387-B1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-10-19 EP disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed
EP-1923387-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-05-21 EP 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E PTGER4 1418/4885KDM4E 731/4885ALDH1A1 2104/4885
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF HTR2B, HTR7, HTR3B PTGER4 569/4885KDM4E 3089/4885ALDH1A1 3677/4885

“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.