SCHEMBL4075703

SCHEMBL4075703

COc1ccc(Br)cc1CCNC(=O)CCCC(=O)NCCc1cc(Br)ccc1OC

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
TP53 P04637 2/20 0.53
POLB P06746 1/20 0.51
GRK2 P25098 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL4083314 0.95 KDM4E (0.53) SMN1; SMN2KDM4EMEN1KMT2ANPSR1
SCHEMBL6555821 0.85 MTNR1B (0.64) KDM4EMEN1KMT2ANPSR1ALDH1A1
SCHEMBL179690 0.82 CA1 (0.60) KDM4EMEN1KMT2ANPSR1ALDH1A1
SCHEMBL129809 0.79 KMT2A (0.53) KDM4EMEN1KMT2ANPSR1ALDH1A1
SCHEMBL3346293 0.79 ALDH1A1 (0.57) ALDH1A1LMNATP53
SCHEMBL16294051 0.79 KDM4E (0.53) SMN1; SMN2KDM4EMEN1KMT2ANPSR1
SCHEMBL128855 0.78 KMT2A (0.52) KDM4EMEN1KMT2ANPSR1ALDH1A1
SCHEMBL25288492 0.78 SMN1; SMN2 (0.62) SMN1; SMN2KMT2APOLB
SCHEMBL10310338 0.78 KMT2A (0.47) SMN1; SMN2KDM4EMEN1KMT2ANPSR1
SCHEMBL7994543 0.77 KDM4E (0.55) SMN1; SMN2KDM4EMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
JP-2007536323-A 2007-12-13 JP claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP claimed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO claimed
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP disclosed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP disclosed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 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-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD SMN1; SMN2 1061/4885KDM4E 462/4885MEN1 713/4885

“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.