SCHEMBL4591809

SCHEMBL4591809

CCN(CC)CCOc1ccc(OC)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
MCHR1 Q99705 1/20 0.50
BIRC5 O15392 1/20 0.49
PTPN1 P18031 1/20 0.47
ESR1 P03372 2/20 0.47
S1PR4 O95977 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.46
CHRNA7 P36544 1/20 0.46
KMT2A Q03164 1/20 0.46
KDR P35968 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL4592183 0.85 KDM4E (0.58) KDM4EBIRC5SMN1; SMN2MAPTCHRNA7
SCHEMBL7940396 0.83 HPGD (0.57) KDM4EBIRC5S1PR4SMN1; SMN2MAPT
SCHEMBL5433176 0.82 KDM4E (0.55) KDM4EBIRC5SMN1; SMN2MAPTCHRNA7
SCHEMBL2004375 0.81 S1PR4 (0.51) S1PR4SMN1; SMN2MAPTKMT2ATDP1
SCHEMBL8903264 0.80 MAPT (0.60) S1PR4SMN1; SMN2MAPTKMT2ATDP1
SCHEMBL6142499 0.80 BIRC5 (0.50) KDM4EBIRC5S1PR4SMN1; SMN2MAPT
SCHEMBL4591966 0.80 KDR (0.56) KDM4EBIRC5ESR1SMN1; SMN2KDR
SCHEMBL3857536 0.80 MAOA (0.57) KDM4EBIRC5SMN1; SMN2MAPTKMT2A
SCHEMBL8536866 0.80 MAPT (0.51) S1PR4SMN1; SMN2MAPTKMT2ATDP1
SCHEMBL2427826 0.79 KDM4E (0.52) KDM4EMCHR1BIRC5PTPN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 KDM4E 1313/4885MCHR1 1/4885BIRC5 2273/4885

“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.