SCHEMBL4083314

SCHEMBL4083314

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

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 2/20 0.49
FFAR4 Q5NUL3 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.47
GRK2 P25098 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
SCHEMBL4075703 0.95 SMN1; SMN2 (0.55) KDM4EMEN1KMT2ANPSR1ALDH1A1
SCHEMBL25288492 0.84 SMN1; SMN2 (0.62) KMT2ASMN1; SMN2POLB
SCHEMBL25710528 0.81 SMN1; SMN2 (0.62) KMT2ASMN1; SMN2POLB
SCHEMBL7994543 0.81 KDM4E (0.55) KDM4EMEN1KMT2ANPSR1ALDH1A1
SCHEMBL6555821 0.80 MTNR1B (0.64) KDM4EMEN1KMT2ANPSR1ALDH1A1
SCHEMBL250442 0.78 MEN1 (0.42) KDM4EMEN1KMT2ANPSR1ALDH1A1
SCHEMBL179690 0.78 CA1 (0.60) KDM4EMEN1KMT2ANPSR1ALDH1A1
SCHEMBL7274811 0.76 ALDH1A1 (0.70) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL25282239 0.76 SMN1; SMN2 (0.64) KMT2ASMN1; SMN2POLB
SCHEMBL129809 0.75 KMT2A (0.53) KDM4EMEN1KMT2ANPSR1ALDH1A1

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-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 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-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD KDM4E 462/4885MEN1 713/4885KMT2A 3604/4885

“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.