SCHEMBL5100398

SCHEMBL5100398

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](C=O)C2

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.68
CHRM1 P11229 1/20 0.68
CHRM3 P20309 1/20 0.68
PREP P48147 4/20 0.49
HSD11B1 P28845 1/20 0.42
GPR119 Q8TDV5 5/20 0.38
NR1H2 P55055 1/20 0.36
HPGD P15428 1/20 0.36
KAT2B Q92831 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 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
SCHEMBL25881059 1.00 CHRM2 (0.68) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL14098540 1.00 CHRM2 (0.68) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL25889563 1.00 CHRM2 (0.68) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL14098541 1.00 CHRM2 (0.68) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL5100393 1.00 CHRM2 (0.68) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL2535821 1.00 CHRM2 (0.68) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL5100405 1.00 CHRM2 (0.68) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL20241612 0.94 CHRM2 (0.59) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL30297856 0.86 CHRM2 (0.50) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL25889745 0.86 CHRM2 (0.50) CHRM2CHRM1CHRM3PREPHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417062-B2 e.g. N (S)-(1-Cyclohexylmethyl-pyrrolidine-2-ylmethyl)-3,4-dimethoxy-N-naphthalen-2-ylmethyl-benzamide; inhibit the binding of the SDF-1 (CXCL12) chemokine or I-TAC (CXCL11) to the chemokine receptor CCXCKR2; anticarcinogenic agent; breast, lymph nodes, bone marrow, and lungs cancer CHEMOCENTRYX, INC. (US) 2008-08-26 US disclosed
US-20060074071-A1 Substituted arylamides CHEMOCENTRYX, INC. (US) 2006-04-06 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-20060074071-A1 Substituted arylamides AADAC, BRDT, BRPF3 CHRM2 4861/4885CHRM1 4882/4885CHRM3 4821/4885

“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.