SCHEMBL14112381

SCHEMBL14112381

O=C(NCC(=O)N1CCC(N2CCC(c3ccccc3)CC2)C1)c1ccc(Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 3/20 0.51
HDAC6 Q9UBN7 1/20 0.47
USP3 Q9Y6I4 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
EGLN1 Q9GZT9 5/20 0.45
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
THRA P10827 1/20 0.42
VDR P11473 1/20 0.42
CCR2 P41597 2/20 0.42
SCD O00767 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
SCHEMBL14112383 0.87 USP5 (0.43) USP5EGLN1THRAVDRCCR2
SCHEMBL14112385 0.85 CCR2 (0.43) USP5EGLN1SMN1; SMN2THRAVDR
SCHEMBL14112361 0.84 USP5 (0.49) USP5EGLN1THRAVDRCCR2
SCHEMBL14112382 0.84 THRA (0.47) USP5EGLN1NPC1RAB9ASMN1; SMN2
SCHEMBL14112582 0.83 THRA (0.50) USP5EGLN1NPC1LMNATP53
SCHEMBL14112378 0.83 THRA (0.47) USP5EGLN1SMN1; SMN2THRAVDR
SCHEMBL14112580 0.83 POLB (0.54) USP5HDAC6EGLN1NPC1LMNA
SCHEMBL4399933 0.83 SMN1; SMN2 (0.56) USP5NPC1RAB9ASMN1; SMN2THRA
SCHEMBL14112581 0.82 RAB9A (0.51) EGLN1LMNATP53MAPTRAB9A
SCHEMBL14112596 0.82 EGLN1 (0.45) USP5HDAC6EGLN1NPC1LMNA

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 USP5 4674/4885HDAC6 2299/4885USP3 4830/4885

“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.