SCHEMBL5599792

SCHEMBL5599792

NC(=O)c1ccccc1C[CH]C(=O)NCCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.50
MAPK1 P28482 2/20 0.49
HIF1A Q16665 1/20 0.49
GAA P10253 1/20 0.49
BCL3 P20749 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7526242 0.80 POLB (0.66) SMN1; SMN2ALDH1A1KDM4EPOLBGAA
SCHEMBL1385121 0.79 PARP1 (0.54) SMN1; SMN2ALDH1A1KDM4EPOLBMEN1
SCHEMBL7369285 0.76 EGFR (0.48) SMN1; SMN2ALDH1A1KDM4EMAPK1GAA
SCHEMBL487963 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBLMNAMEN1
SCHEMBL4524250 0.76 KDM4E (0.63) SMN1; SMN2ALDH1A1KDM4EPOLBGAA
SCHEMBL7653275 0.75 HSD17B10 (0.50) ALDH1A1KDM4EBCL3LMNAHPGD
SCHEMBL12333386 0.75 POLB (0.65) SMN1; SMN2ALDH1A1KDM4EPOLBGAA
SCHEMBL5599512 0.74 HTR4 (0.46) ALDH1A1KDM4E
SCHEMBL3649363 0.74 GAA (0.52) SMN1; SMN2ALDH1A1KDM4EPOLBMAPK1
SCHEMBL2228234 0.73 KDM4E (0.58) SMN1; SMN2ALDH1A1KDM4EGAALMNA

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
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US claimed
US-7273856-B2 Linear basic compounds having NK-2 antagonist activity and formulations thereof MENARINI RICERCHE S.P.A. (IT) 2007-09-25 US disclosed
EP-1442050-B1 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI SAS (IT) 2006-09-13 EP disclosed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 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-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 SMN1; SMN2 2664/4885ALDH1A1 2231/4885KDM4E 3285/4885

“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.