SCHEMBL4884481

SCHEMBL4884481

CC1[C@H](NC(=O)O)CCN1[C@H](CO)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC6A9 P48067 2/20 0.37
BRD4 O60885 2/20 0.37
ATM Q13315 1/20 0.37
OPRL1 P41146 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
SCHEMBL27764382 0.77 OPRL1 (0.41) OPRL1
SCHEMBL4068649 0.77 OPRL1 (0.41) OPRL1
SCHEMBL27764383 0.75 OPRM1 (0.37) KDM4EOPRL1
SCHEMBL5347104 0.71 KDM4E (0.54) ALDH1A1KDM4EOPRL1
SCHEMBL2888254 0.68 HCRTR1 (0.44) KMT2AKDM4E
SCHEMBL14120025 0.67 OPRL1 (0.41) MEN1KMT2AOPRL1
SCHEMBL14120027 0.67 OPRL1 (0.41) MEN1KMT2AOPRL1
SCHEMBL28130973 0.66 MEN1 (0.37) ALDH1A1MEN1KMT2AKDM4EOPRL1
SCHEMBL19613178 0.65 OPRM1 (0.45) ALDH1A1MEN1KMT2AKDM4ESLC6A9
SCHEMBL19613986 0.65 OPRM1 (0.45) ALDH1A1MEN1KMT2AKDM4ESLC6A9

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-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US 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

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 ALDH1A1 433/4885MEN1 3014/4885KMT2A 4369/4885

“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.