SCHEMBL4500070

SCHEMBL4500070

O=c1nc(NCC2CCN(Cc3ccccc3Cl)CC2)[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 11/20 0.53
OPRM1 P35372 2/20 0.48
LMNA P02545 2/20 0.47
DRD4 P21917 1/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ATM Q13315 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL4502250 0.89 ACHE (0.48) OPRM1ACHE
SCHEMBL4502894 0.88 ACHE (0.60) CXCR4ACHE
SCHEMBL4501344 0.85 OPRM1 (0.51) OPRM1ACHEATM
SCHEMBL4503740 0.77 PDGFRB (0.56)
Hydrochloric Acid SCHEMBL4510299 0.76 PDGFRB (0.55)
SCHEMBL4489181 0.75 MEN1 (0.47) CXCR4LMNAACHEALDH1A1TP53
SCHEMBL4514765 0.73 KDM4E (0.53)
SCHEMBL4493806 0.72 ACHE (0.43) OPRM1LMNADRD4ACHEALDH1A1
SCHEMBL4491399 0.71 OPRM1 (0.49) OPRM1ACHE
SCHEMBL18768440 0.70 TP53 (0.70) CXCR4LMNADRD2TP53

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 CXCR4 44/4885OPRM1 388/4885LMNA 2459/4885

“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.