SCHEMBL4494897

SCHEMBL4494897

N#Cc1ccc2[nH]c(NCC3CCN(Cc4cccc5ccccc45)CC3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
OPRM1 P35372 3/20 0.42
OPRK1 P41145 3/20 0.42
OPRL1 P41146 3/20 0.42
CCR3 P51677 2/20 0.42
KCNH2 Q12809 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPK10 P53779 1/20 0.39
PIK3CB P42338 1/20 0.39
CHEK1 O14757 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL4496674 0.85 ACHE (0.43) ACHEOPRM1OPRK1OPRL1HTR2A
SCHEMBL4509816 0.85 OPRM1 (0.43) ACHEOPRM1OPRK1OPRL1HTR2A
SCHEMBL4497481 0.84 SMN1; SMN2 (0.44) ACHEOPRM1OPRK1OPRL1HTR2A
SCHEMBL4509574 0.82 HSD17B10 (0.44) ACHEOPRM1OPRK1OPRL1CCR3
SCHEMBL4507510 0.82 OPRM1 (0.43) ACHEOPRM1OPRK1OPRL1HTR2A
SCHEMBL4505044 0.82 ACHE (0.42) ACHEOPRM1OPRK1OPRL1SIGMAR1
SCHEMBL4502250 0.79 ACHE (0.48) ACHEOPRM1OPRK1OPRL1HTR2A
SCHEMBL4493806 0.74 ACHE (0.43) ACHEOPRM1OPRK1OPRL1HTR2A
SCHEMBL4494905 0.72 MAPK10 (0.40) KCNH2MAPK10
SCHEMBL4500070 0.69 CXCR4 (0.53) ACHEOPRM1

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 4551/4885OPRM1 388/4885OPRK1 306/4885

“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.