SCHEMBL3743092

SCHEMBL3743092

CC(C)(C)N(C(=O)O)[C@@H]1CCN([C@H]2CC[C@](O)(c3ccccn3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.47
HSD11B1 P28845 4/20 0.47
CNR2 P34972 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
CCR1 P32246 1/20 0.36
CCR5 P51681 3/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 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
SCHEMBL3743089 1.00 CCR2 (0.47) CCR2HSD11B1CNR2OPRM1OPRD1
SCHEMBL744360 1.00 CCR2 (0.47) CCR2HSD11B1CNR2OPRM1OPRD1
SCHEMBL742585 0.76 CCR2 (0.59) CCR2CNR2OPRM1OPRD1OPRK1
SCHEMBL742587 0.76 CCR2 (0.59) CCR2CNR2OPRM1OPRD1OPRK1
SCHEMBL5235112 0.76 CCR2 (0.59) CCR2CNR2OPRM1OPRD1OPRK1
SCHEMBL742586 0.76 CCR2 (0.59) CCR2CNR2OPRM1OPRD1OPRK1
SCHEMBL744833 0.75 CCR2 (0.47) CCR2KCNH2MCHR1
SCHEMBL1307534 0.75 CCR5 (0.35) HRH3CCR5KCNH2MCHR1
SCHEMBL744081 0.75 CCR2 (0.47) CCR2HSD11B1CNR2OPRM1OPRD1
SCHEMBL3650966 0.75 CCR2 (0.47) CCR2HSD11B1CNR2OPRM1OPRD1

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-7834021-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-11-16 US disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 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-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 CCR2 1/4885HSD11B1 3098/4885CNR2 76/4885

“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.