SCHEMBL4503597

SCHEMBL4503597

O=C(O)c1ccc2[nH]c(NC(CCCc3ccccc3)C3CCNCC3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.43
ABL1 P00519 1/20 0.39
AKR1C3 P42330 1/20 0.37
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
CSNK2A1 P68400 3/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
ENPP2 Q13822 1/20 0.35
ATXN2 Q99700 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSSK1B Q9BXA7 1/20 0.34
OPRD1 P41143 1/20 0.34
GAA P10253 1/20 0.34
CDK2 P24941 1/20 0.34
AKT1 P31749 1/20 0.34

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
SCHEMBL4496490 0.91 HDAC6 (0.41) HDAC6ABL1EHMT2ALDH1A1MAPK1
SCHEMBL4514352 0.83 GAA (0.45) ALDH1A1MAPK1HSD17B10NPC1RAB9A
SCHEMBL4497491 0.80 AKR1C3 (0.38) ABL1AKR1C3CSNK2A1
SCHEMBL4505054 0.71 SMYD3 (0.37) ABL1NPC1RAB9A
SCHEMBL4509585 0.71 SMN1; SMN2 (0.37) ABL1MAPK1NPC1RAB9AGAA
SCHEMBL4503583 0.71 KDM1A (0.53) HDAC6EHMT2EHMT1
SCHEMBL5370680 0.70 KMT2A (0.44) NPC1RAB9AOPRD1CDK2AKT1
SCHEMBL28699433 0.67 CACNA1H (0.53) ABL1ALDH1A1MAPK1
SCHEMBL2929452 0.66 AKR1C3 (0.71) HDAC6AKR1C3CSNK2A1CSNK2A2CSNK2B
SCHEMBL8129250 0.66 CPN1 (0.50) HDAC6MAPK1OPRD1

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 HDAC6 198/4885ABL1 3759/4885AKR1C3 380/4885

“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.