SCHEMBL4072272

SCHEMBL4072272

O=C(O)CCCC(=O)N1CC=C(c2ccccc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.84
▸ KMT2A Q03164 1/20 0.84
▸ ALDH1A1 P00352 5/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KCNH2 Q12809 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.53
▸ CNR1 P21554 1/20 0.53
▸ USP2 O75604 2/20 0.52
▸ NAMPT P43490 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL4074980 0.88 MEN1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL10851211 0.84 MEN1 (0.76) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL12282111 0.84 MEN1 (0.76) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL9581668 0.81 MEN1 (0.71) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL27886023 0.81 MEN1 (0.71) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL13936597 0.80 MEN1 (0.73) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL10231292 0.78 SIGMAR1 (0.68) MEN1KMT2ASIGMAR1
SCHEMBL2241959 0.78 ALDH1A1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL5158031 0.78 KMT2A (0.52) MEN1KMT2AALDH1A1ALOX15TSHR
SCHEMBL14516232 0.77 MEN1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2ALOX15

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 7 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

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 MEN1 713/4885KMT2A 3604/4885ALDH1A1 158/4885

“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.

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