SCHEMBL4054571

SCHEMBL4054571

Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.49
KMT2A Q03164 6/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.44
SSTR3 P32745 1/20 0.43
OPRK1 P41145 1/20 0.42
ATM Q13315 1/20 0.41
PKM P14618 1/20 0.40
MCHR1 Q99705 1/20 0.40
DRD2 P14416 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL4045470 0.91 ACKR3 (0.48) ACKR3KMT2AMEN1ALDH1A1DRD2
SCHEMBL16143615 0.91 ACKR3 (0.48) ACKR3KMT2AMEN1ALDH1A1DRD2
SCHEMBL4048579 0.91 KMT2A (0.47) ACKR3KMT2AMEN1ALDH1A1
SCHEMBL4054730 0.91 ACKR3 (0.50) ACKR3KMT2AMEN1ALDH1A1MCHR1
SCHEMBL4049886 0.90 MAPT (0.45) KMT2AMEN1POLBATM
SCHEMBL4048631 0.90 KMT2A (0.51) KMT2AMEN1ALDH1A1POLBATM
SCHEMBL4052294 0.86 ACKR3 (0.48) ACKR3KMT2AMEN1ALDH1A1ATM
SCHEMBL205912 0.86 HPGD (0.47) KMT2AMEN1ALDH1A1POLBOPRK1
SCHEMBL4216689 0.84 SIGMAR1 (0.39) ACKR3KMT2AMEN1ALDH1A1POLB
SCHEMBL4049689 0.84 KMT2A (0.53) KMT2AMEN1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 EP claimed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US claimed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 US claimed
EP-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 EP disclosed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US disclosed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 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-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds AOC1, ODC1, OTC ACKR3 3574/4885KMT2A 3911/4885MEN1 964/4885

“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.