SCHEMBL4079406

SCHEMBL4079406

Cc1cccc(N2CCN(C(=O)CCCC(=O)O)CC2)c1C

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.72
ALDH1A1 P00352 5/20 0.72
KMT2A Q03164 5/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
TSHR P16473 3/20 0.72
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
MAPK1 P28482 1/20 0.72
KDM4E B2RXH2 2/20 0.64
ALOX15 P16050 1/20 0.64
HSD17B10 Q99714 1/20 0.64
AR P10275 1/20 0.62
LMNA P02545 5/20 0.59
MEN1 O00255 4/20 0.59
HTT P42858 2/20 0.59
ADAMTS5 Q9UNA0 2/20 0.57
TP53 P04637 2/20 0.57
POLB P06746 1/20 0.56

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
SCHEMBL4075010 0.89 AR (0.76) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL9052676 0.87 MAPT (0.69) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL8912424 0.87 MAPT (0.72) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL8901909 0.86 MAPT (0.67) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL8902390 0.85 MAPT (0.66) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL9987606 0.84 MAPT (0.67) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL5009458 0.83 ALDH1A1 (0.61) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL22053945 0.82 MAPT (0.72) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL8706041 0.81 MAPT (0.71) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL9051544 0.81 MAPT (0.71) MAPTALDH1A1KMT2ASMN1; SMN2TSHR

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
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
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

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 MAPT 1103/4885ALDH1A1 158/4885KMT2A 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.