SCHEMBL14112593

SCHEMBL14112593

O=C(NCC(=O)N1CCC(N2CCC(c3ccccc3)CC2)C1)c1ccc(Cl)cc1F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP5 P45974 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51
CCR2 P41597 3/20 0.44
IDO1 P14902 2/20 0.44
POLB P06746 1/20 0.43
THRA P10827 1/20 0.43
VDR P11473 1/20 0.43
CCR3 P51677 1/20 0.42
AVPR1A P37288 1/20 0.41
ACKR3 P25106 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
MAPK8 P45983 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
SCHEMBL14112580 0.91 POLB (0.54) USP5HDAC6CCR2IDO1POLB
SCHEMBL14112548 0.91 USP5 (0.52) USP5HDAC6CCR2POLBTHRA
SCHEMBL14112596 0.90 EGLN1 (0.45) USP5HDAC6CCR2IDO1POLB
SCHEMBL14112587 0.89 KMT2A (0.52) USP5HDAC6CCR2POLBTHRA
SCHEMBL14112573 0.87 USP5 (0.47) USP5HDAC6CCR2IDO1POLB
SCHEMBL14112560 0.87 USP5 (0.46) USP5HDAC6CCR2IDO1POLB
SCHEMBL14112581 0.85 RAB9A (0.51) CCR2POLBTHRAVDREGLN1
SCHEMBL14112542 0.84 USP5 (0.53) USP5CCR2THRAVDR
SCHEMBL14112566 0.84 CCR2 (0.46) USP5HDAC6CCR2POLBTHRA
SCHEMBL14112590 0.84 CCR2 (0.55) USP5HDAC6CCR2EGLN1

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 2299/4885CCR2 3/4885

“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.