SCHEMBL4882591

SCHEMBL4882591

O=C(NCC(=O)N1CC[C@H](N2CCC(c3ccccc3)CC2)C1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP5 P45974 7/20 0.54
THRA P10827 1/20 0.53
VDR P11473 1/20 0.53
CCR2 P41597 4/20 0.50
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
EGLN1 Q9GZT9 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
OPRK1 P41145 1/20 0.43
DRD2 P14416 1/20 0.42

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
SCHEMBL4069592 1.00 USP5 (0.54) USP5THRAVDRCCR2LMNA
SCHEMBL14112470 0.92 USP5 (0.48) USP5THRAVDRCCR2EGLN1
SCHEMBL14112457 0.92 USP5 (0.45) USP5THRAVDRCCR2EGLN1
SCHEMBL14112427 0.91 USP5 (0.44) USP5THRAVDRCCR2LMNA
SCHEMBL14112517 0.91 USP5 (0.47) USP5THRAVDRCCR2EGLN1
SCHEMBL14112414 0.91 EGLN1 (0.45) USP5THRAVDRCCR2LMNA
SCHEMBL14112421 0.91 LMNA (0.49) USP5THRAVDRCCR2LMNA
SCHEMBL14112435 0.90 USP5 (0.51) USP5THRAVDRCCR2EGLN1
SCHEMBL14112518 0.90 LMNA (0.48) USP5THRAVDRCCR2LMNA
SCHEMBL14112322 0.89 HRH1 (0.44) USP5THRAVDRCCR2SMN1; SMN2

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 USP5 4674/4885THRA 2954/4885VDR 346/4885

“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.