SCHEMBL493433

SCHEMBL493433

CN(C)C(c1cccc(F)c1)C1CCC(CCNC(=O)COC2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
CCL5 P13501 1/20 0.36
CCR5 P51681 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
OPRL1 P41146 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL492904 0.95 KMT2A (0.41) KMT2AMEN1ALDH1A1CCL5NPC1
SCHEMBL492661 0.94 KMT2A (0.37) KMT2AMEN1ALDH1A1CCL5NPC1
SCHEMBL493163 0.94 CCL5 (0.41) KMT2AMEN1ALDH1A1POLBCCL5
SCHEMBL492941 0.93 KMT2A (0.42) KMT2AMEN1ALDH1A1POLBCCL5
SCHEMBL492813 0.92 KMT2A (0.41) KMT2AMEN1ALDH1A1POLBHDAC3
SCHEMBL493352 0.92 KMT2A (0.41) KMT2AMEN1ALDH1A1POLBHDAC3
SCHEMBL492801 0.91 TRPV4 (0.38) KMT2AMEN1OPRL1HDAC3HDAC4
SCHEMBL492836 0.90 HDAC3 (0.43) KMT2AMEN1ALDH1A1POLBHDAC3
SCHEMBL493300 0.90 DPP4 (0.39) KMT2AMEN1ALDH1A1POLBCCL5
SCHEMBL493193 0.89 KMT2A (0.43) KMT2AMEN1ALDH1A1CCL5HDAC3

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
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD KMT2A 1749/4885MEN1 4132/4885ALDH1A1 1349/4885

“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.