SCHEMBL4074980

SCHEMBL4074980

O=C(O)CCCC(=O)N1CC=C(c2ccc(F)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ MAPT P10636 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ PARP1 P09874 3/20 0.54
▸ PARP2 Q9UGN5 1/20 0.54
▸ MAPK1 P28482 1/20 0.51
▸ SIGMAR1 Q99720 5/20 0.50
▸ CNR1 P21554 1/20 0.47
▸ NAMPT P43490 3/20 0.47
▸ DRD2 P14416 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
SCHEMBL4072272 0.88 MEN1 (0.84) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL14224507 0.81 MAPK1 (0.58) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL4602817 0.80 ALDH1A1 (0.66) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL8093113 0.80 DRD2 (0.53) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL11790805 0.79 KMT2A (0.68) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL14393509 0.76 QDPR (0.67) MAPTALDH1A1ALOX15NPC1HPGD
SCHEMBL5542441 0.76 ALDH1A1 (0.60) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL10851211 0.75 MEN1 (0.76) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL28314013 0.73 PARP1 (0.63) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL14197130 0.72 NAMPT (0.58) MAPTALDH1A1ALOX15NPC1HPGD

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 MEN1 713/4885KMT2A 3604/4885MAPT 1103/4885

“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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