SCHEMBL4132390

SCHEMBL4132390

CC(C)(C)OC(=O)N1C2CCC1CC(N1CC[C@@H](N(Cc3ccccc3)C(=O)C3CC3)C1)C2

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.70
KCNH2 Q12809 2/20 0.57
HSD11B1 P28845 1/20 0.48
OPRM1 P35372 4/20 0.48
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
CHRM1 P11229 4/20 0.42
PTPRB P23467 1/20 0.42
PTPN11 Q06124 1/20 0.42
CHRM4 P08173 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
CETP P11597 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
SCHEMBL13853353 0.80 OPRM1 (0.60) CCR5KCNH2HSD11B1OPRM1JAK2
SCHEMBL4138032 0.78 CCR5 (0.65) CCR5KCNH2OPRM1CHRM2CHRM3
SCHEMBL4123915 0.78 CCR5 (0.81) CCR5KCNH2OPRM1
SCHEMBL4123919 0.78 CCR5 (0.81) CCR5KCNH2OPRM1
SCHEMBL30532531 0.77 JAK2 (0.52) HSD11B1JAK2JAK1CHRM1CHRM2
SCHEMBL12094618 0.76 JAK2 (0.65) HSD11B1JAK2JAK1CHRM1CHRM2
SCHEMBL13896107 0.76 JAK2 (0.65) HSD11B1JAK2JAK1CHRM1CHRM2
SCHEMBL24535002 0.75 SMN1; SMN2 (0.45) CHRM1CHRM2CHRM3
SCHEMBL24534722 0.75 SMN1; SMN2 (0.45) CHRM1CHRM2CHRM3
SCHEMBL13853363 0.74 CCR5 (0.55) CCR5KCNH2HSD11B1OPRM1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124636-A1 CHEMICAL COMPOUNDS PFIZER INC. 2009-05-14 US disclosed
US-20090124636-A1 CHEMICAL COMPOUNDS PFIZER INC. 2009-05-14 US disclosed
US-20090124636-A1 CHEMICAL COMPOUNDS PFIZER INC. 2009-05-14 US disclosed
WO-2007116313-A2 PYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE CCR5 RECEPTORS PFIZER LIMITED (GB) 2007-10-18 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-20090124636-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CX3CR1 CCR5 1/4885KCNH2 810/4885HSD11B1 1718/4885

“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.