SCHEMBL4435644

SCHEMBL4435644

CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3cc(-c4noc(=O)[nH]4)ccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.46
CHRM1 P11229 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
HRH1 P35367 1/20 0.42
CCR3 P51677 1/20 0.42
HSD11B1 P28845 4/20 0.42
GPR119 Q8TDV5 4/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PRKDC P78527 1/20 0.41
CHEK2 O96017 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
TACR2 P21452 1/20 0.40

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
SCHEMBL4444426 0.84 CCR5 (0.46) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL29198147 0.81 CHRM1 (0.53) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL14008583 0.80 AKT1 (0.46) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL4440184 0.80 CTSS (0.44) HSD11B1HTR1ACTSS
SCHEMBL8047936 0.80 HSD11B1 (0.60) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL28706708 0.80 CCR5 (0.51) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL14146573 0.80 CCR5 (0.51) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL318475 0.80 HSD11B1 (0.60) CCR5CHRM1HSD11B1HTR1AOPRM1
SCHEMBL30870565 0.80 HSD11B1 (0.60) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL4434708 0.79 CCR5 (0.53) CCR5CHRM1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO 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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A CCR5 1132/4885CHRM1 2922/4885CHRM2 3679/4885

“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.