SCHEMBL2212882

SCHEMBL2212882

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-c2csc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.51
CCR1 P32246 4/20 0.51
SOS1 Q07889 10/20 0.49
KRAS P01116 1/20 0.49
SIGMAR1 Q99720 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL2213144 0.90 CCR3 (0.56) CCR3CCR1SIGMAR1
SCHEMBL2215033 0.90 CCR3 (0.56) CCR3CCR1SIGMAR1
SCHEMBL2211534 0.89 CCR1 (0.46) CCR3CCR1
SCHEMBL2213261 0.88 CCR3 (0.56) CCR3CCR1SIGMAR1
SCHEMBL2213254 0.88 CCR3 (0.56) CCR3CCR1SIGMAR1
SCHEMBL2213038 0.87 CCR3 (0.53) CCR3CCR1SIGMAR1
SCHEMBL2212053 0.87 CCR3 (0.55) CCR3CCR1SIGMAR1
SCHEMBL2213891 0.86 CCR3 (0.55) CCR3CCR1SIGMAR1
SCHEMBL2213896 0.86 CCR3 (0.55) CCR3CCR1SIGMAR1
SCHEMBL2211850 0.86 CCR3 (0.54) CCR3CCR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389616-B1 3,4-Dihalobenzylpiperidine derivatives and their medical use MITSUBISHI TANABE PHARMA CORP (JP) 2011-07-27 EP disclosed
EP-1389616-B1 3,4-Dihalobenzylpiperidine derivatives and their medical use MITSUBISHI TANABE PHARMA CORP (JP) 2011-07-27 EP disclosed
US-7115635-B2 Benzylpiperidine compound MITSUBISHI PHARMA CORPORATION (JP) 2006-10-03 US disclosed
US-20040158071-A1 Chemokine inhibitors and stability in blood MITSUBISHI PHARMA CORPORATION (JP) 2004-08-12 US disclosed
EP-1389616-A1 NOVEL BENZYLPIPERIDINE COMPOUND Mitsubishi Pharma Corporation (JP) 2004-02-18 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-20040158071-A1 Chemokine inhibitors and stability in blood CCL2, CXCR1, CCR5 CCR3 21/4885CCR1 11/4885SOS1 3272/4885

“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.