SCHEMBL3573560

SCHEMBL3573560

CC(C)(C)[C@]1(C(=O)O)CCCN1Cc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 8/20 0.42
CHRM1 P11229 3/20 0.42
CHRM2 P08172 3/20 0.42
CHRM3 P20309 3/20 0.42
TNIK Q9UKE5 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD11B1 P28845 1/20 0.37
GPR183 P32249 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL3573557 1.00 CXCR3 (0.42) CXCR3CHRM1CHRM2CHRM3TNIK
SCHEMBL15383206 0.73 HSD11B1 (0.43) CXCR3CHRM1CHRM2CHRM3TNIK
SCHEMBL4610606 0.70 KDM4E (0.40) CXCR3CHRM1CHRM2CHRM3TNIK
SCHEMBL30547036 0.69 GSK3B (0.51) ALDH1A1
SCHEMBL30547029 0.68 GSK3B (0.49) ALDH1A1
SCHEMBL4591428 0.68 ALDH1A1 (0.41) CXCR3CHRM1CHRM2CHRM3TNIK
SCHEMBL1982112 0.68 NPSR1 (0.39) CHRM1CHRM3HPGDALDH1A1LMNA
SCHEMBL16589467 0.67 LMNA (0.43) HRH3ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL7556637 0.67 TSHR (0.46) ALDH1A1LMNA
SCHEMBL15665132 0.66 CYP2D6 (0.46) CHRM2CHRM3ALDH1A1LMNASMN1; SMN2

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-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
US-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. (CA) 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-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CXCR3 276/4885CHRM1 4875/4885CHRM2 4864/4885

“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.