SCHEMBL4251450

SCHEMBL4251450

C=C/C(=N/C=C/C)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.48
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
EPHX1 P07099 1/20 0.42
KMT2A Q03164 1/20 0.41
STS P08842 7/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4251454 1.00 HPGD (0.50) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL20459307 0.79 HPGD (0.56) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL15561286 0.79 HPGD (0.59) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL14138860 0.76 GPR119 (0.50) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL13599001 0.74 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL19626321 0.74 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL28195249 0.73 HPGD (0.68) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL15918632 0.73 HPGD (0.59) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL2771306 0.73 HPGD (0.51) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL9032283 0.73 HPGD (0.51) HPGDRECQLPTPN2PTPN1PTPN6

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
EP-2099454-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS Abbott Laboratories (US) 2009-09-16 EP 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
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 WO 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 HPGD 65/4885RECQL 3150/4885PTPN2 3259/4885

“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.