SCHEMBL4514599

SCHEMBL4514599

CC(=O)NCCC(=O)Nc1cccc2[nH]c(NCC3CCN(Cc4cccc5ccccc45)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
BCHE P06276 2/20 0.40
DRD4 P21917 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
KMT2A Q03164 4/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
OPRK1 P41145 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL4493806 0.76 ACHE (0.43) ACHEDRD4SIGMAR1HDAC1HDAC8
SCHEMBL4514607 0.76 KMT2A (0.38) KMT2APOLBMEN1LMNA
SCHEMBL4502250 0.76 ACHE (0.48) ACHESIGMAR1KMT2APOLBMEN1
SCHEMBL4502362 0.75 CACNA1G (0.45) SIGMAR1KMT2AMEN1HDAC1HDAC8
SCHEMBL4497481 0.72 SMN1; SMN2 (0.44) ACHEDRD4SIGMAR1HDAC1HDAC8
SCHEMBL4505044 0.71 ACHE (0.42) ACHEBCHEDRD4SIGMAR1HDAC1
SCHEMBL4509574 0.71 HSD17B10 (0.44) ACHEDRD4SIGMAR1KMT2AMEN1
SCHEMBL4496674 0.70 ACHE (0.43) ACHESIGMAR1KMT2AMEN1HDAC1
SCHEMBL4516525 0.69 TP53 (0.49) SIGMAR1KMT2APOLBMEN1TP53
SCHEMBL4509816 0.69 OPRM1 (0.43) ACHESIGMAR1KMT2AMEN1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
EP-1502916-A1 PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-02 EP 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-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 ACHE 4551/4885BCHE 3739/4885DRD4 759/4885

“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.