SCHEMBL4068649

SCHEMBL4068649

CC1[C@H](N)CCN1[C@H](CO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.41
OPRM1 P35372 10/20 0.41
OPRD1 P41143 10/20 0.41
OPRK1 P41145 10/20 0.41
DPP4 P27487 1/20 0.39

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
SCHEMBL27764382 1.00 OPRL1 (0.41) OPRL1OPRM1OPRD1OPRK1DPP4
SCHEMBL28280956 0.87 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1DPP4
SCHEMBL28280954 0.87 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1DPP4
SCHEMBL28282701 0.87 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1DPP4
SCHEMBL28280983 0.78 OPRM1 (0.48) OPRL1OPRM1OPRD1OPRK1DPP4
SCHEMBL28870396 0.78 OPRM1 (0.48) OPRL1OPRM1OPRD1OPRK1DPP4
SCHEMBL28280982 0.78 OPRM1 (0.48) OPRL1OPRM1OPRD1OPRK1DPP4
SCHEMBL27764383 0.78 OPRM1 (0.37) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4884481 0.77 ALDH1A1 (0.38) OPRL1
SCHEMBL5347104 0.76 KDM4E (0.54) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
EP-2099454-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS Abbott Laboratories (US) 2009-09-16 EP disclosed
CN-101534824-A Aminopyrrolidines as chemokine receptor antagonists ABBOTT LAB (US) 2009-09-16 CN disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 OPRL1 98/4885OPRM1 189/4885OPRD1 173/4885

“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.