SCHEMBL1359639

SCHEMBL1359639

O=C1CCN(c2ccc(C(=O)N3CCOCC3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.63
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 2/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PHGDH O43175 1/20 0.59
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 1/20 0.55
DNMT1 P26358 1/20 0.55
PTPN7 P35236 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
AKR1C3 P42330 1/20 0.54
HSD11B1 P28845 1/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.52
PKM P14618 1/20 0.51

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
SCHEMBL1358720 0.86 HPGD (0.65) HPGDALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL14528664 0.84 HPGD (0.65) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL10720943 0.83 PHGDH (0.81) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL20907468 0.81 LMNA (0.54) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL28900568 0.79 HPGD (0.59) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL24120195 0.79 HPGD (0.61) HPGDALDH1A1SMN1; SMN2PHGDHKMT2A
SCHEMBL28296651 0.78 HPGD (0.86) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL16229918 0.78 HPGD (0.60) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL5235593 0.77 HPGD (0.56) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL1360270 0.77 HPGD (0.92) HPGDALDH1A1KDM4EMAPTHTT

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-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8067457-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
WO-2007053498-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 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 (2 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-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR3 HPGD 1479/4885ALDH1A1 1292/4885KDM4E 3330/4885
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 HPGD 1479/4885ALDH1A1 1292/4885KDM4E 3330/4885

“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.