SCHEMBL4465167

SCHEMBL4465167

CCC(COC1(N(C)C)C(C)OC(=O)N1Cc1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.32
GRM2 Q14416 2/20 0.32
LMNA P02545 1/20 0.31
ELANE P08246 2/20 0.31
CTSG P08311 1/20 0.31
PRTN3 P24158 1/20 0.31
IDH1 O75874 1/20 0.31
CTSD P07339 1/20 0.30
CTSE P14091 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL4447358 0.67 ELANE (0.38) GRM2LMNAELANECTSGPRTN3
SCHEMBL4484747 0.64 GRM2 (0.39) CCR5GRM2LMNAELANECTSG
SCHEMBL4455569 0.62 OPRM1 (0.42) GRM2
SCHEMBL5895589 0.59 LMNA (0.46) CCR5LMNA
SCHEMBL6871261 0.59 LMNA (0.46) CCR5LMNA
SCHEMBL7232754 0.59 CCR5 (0.41) CCR5LMNACTSDCTSEBACE1
SCHEMBL20780345 0.58 EHMT2 (0.42) GRM2ELANECTSGPRTN3
SCHEMBL20794186 0.58 EHMT2 (0.42) GRM2ELANECTSGPRTN3
SCHEMBL20794187 0.58 EHMT2 (0.42) GRM2ELANECTSGPRTN3
SCHEMBL22222447 0.58 EHMT2 (0.42) GRM2ELANECTSGPRTN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 US 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 CCR5 1440/4885GRM2 4432/4885LMNA 2478/4885

“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.