SCHEMBL14112580

SCHEMBL14112580

O=C(NCC(=O)N1CCC(N2CCC(c3ccccc3)CC2)C1)c1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
EGLN1 Q9GZT9 2/20 0.48
THRA P10827 1/20 0.44
VDR P11473 1/20 0.44
SLC6A12 P48065 1/20 0.44
USP5 P45974 3/20 0.44
HDAC6 Q9UBN7 2/20 0.44
SPR P35270 2/20 0.44
CCR2 P41597 3/20 0.43
AVPR1A P37288 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 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
SCHEMBL14112596 0.92 EGLN1 (0.45) POLBEGLN1THRAVDRUSP5
SCHEMBL14112593 0.91 USP5 (0.51) POLBEGLN1THRAVDRUSP5
SCHEMBL14112573 0.91 USP5 (0.47) POLBTHRAVDRUSP5HDAC6
SCHEMBL14112581 0.90 RAB9A (0.51) POLBEGLN1THRAVDRCCR2
SCHEMBL14112551 0.86 MGLL (0.44) POLBEGLN1THRAVDRUSP5
SCHEMBL14112582 0.85 THRA (0.50) POLBEGLN1THRAVDRUSP5
SCHEMBL4882591 0.84 USP5 (0.54) EGLN1THRAVDRUSP5CCR2
SCHEMBL4069592 0.84 USP5 (0.54) EGLN1THRAVDRUSP5CCR2
SCHEMBL14112383 0.83 USP5 (0.43) POLBEGLN1THRAVDRUSP5
SCHEMBL14208505 0.83 EGLN1 (0.45) EGLN1USP5HDAC6SPRAVPR1A

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 POLB 1231/4885EGLN1 2238/4885THRA 2954/4885

“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.