SCHEMBL4592183

SCHEMBL4592183

CCN(CC)CCOc1ccc(OCCBr)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRNA7 P36544 1/20 0.50
BIRC5 O15392 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
SMARCA2 P51531 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAOB P27338 1/20 0.46
TSHR P16473 1/20 0.46
EBP Q15125 1/20 0.46

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
SCHEMBL5433176 0.88 KDM4E (0.55) KDM4EMAPTKMT2ACHRNA7BIRC5
SCHEMBL4591809 0.85 KDM4E (0.54) KDM4EMAPTKMT2ACHRNA7BIRC5
SCHEMBL5422039 0.82 KDM4E (0.51) KDM4EMAPTKMT2ACHRNA7SIGMAR1
SCHEMBL29413774 0.82 KDM4E (0.84) KDM4EMAPTKMT2ACHRNA7SIGMAR1
SCHEMBL1023508 0.82 KDM4E (0.84) KDM4EMAPTKMT2ACHRNA7SIGMAR1
SCHEMBL7940396 0.80 HPGD (0.57) KDM4EMAPTKMT2ABIRC5SMN1; SMN2
SCHEMBL14530587 0.79 SMN1; SMN2 (0.46) KDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL2004375 0.79 S1PR4 (0.51) MAPTKMT2ASMN1; SMN2POLBHTT
SCHEMBL3863505 0.78 KDM4E (0.63) KDM4EMAPTKMT2ACHRNA7SIGMAR1
SCHEMBL3857536 0.78 MAOA (0.57) KDM4EMAPTKMT2ABIRC5SIGMAR1

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 5 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
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US 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 1313/4885MAPT 4641/4885KMT2A 474/4885

“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.