SCHEMBL14112596

SCHEMBL14112596

O=C(NCC(=O)N1CCC(N2CCC(c3ccccc3)CC2)C1)c1ccc(Cl)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 7/20 0.45
SPR P35270 2/20 0.45
POLB P06746 1/20 0.44
THRA P10827 1/20 0.43
VDR P11473 1/20 0.43
CCR2 P41597 3/20 0.43
AVPR1A P37288 1/20 0.42
MAPK8 P45983 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.41
USP5 P45974 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL14208505 0.92 EGLN1 (0.45) EGLN1SPRAVPR1AMAPK8NPC1
SCHEMBL14112580 0.92 POLB (0.54) EGLN1SPRPOLBTHRAVDR
SCHEMBL14112593 0.90 USP5 (0.51) EGLN1POLBTHRAVDRCCR2
SCHEMBL14112545 0.88 THRA (0.45) EGLN1POLBTHRAVDRCCR2
SCHEMBL14112581 0.85 RAB9A (0.51) EGLN1POLBTHRAVDRCCR2
SCHEMBL14112582 0.85 THRA (0.50) EGLN1SPRPOLBTHRAVDR
SCHEMBL14112573 0.84 USP5 (0.47) POLBTHRAVDRCCR2NPC1
SCHEMBL14112551 0.83 MGLL (0.44) EGLN1POLBTHRAVDRCCR2
SCHEMBL14112383 0.83 USP5 (0.43) EGLN1POLBTHRAVDRCCR2
SCHEMBL14112548 0.82 USP5 (0.52) EGLN1POLBTHRAVDRCCR2

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-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
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
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 EGLN1 2238/4885SPR 1000/4885POLB 1231/4885

“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.