SCHEMBL1358636

SCHEMBL1358636

CC1CC(=O)CCN1c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.37
ADAMTS5 Q9UNA0 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPK1 P28482 1/20 0.35
MGLL Q99685 1/20 0.35
MMP2 P08253 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CACNA1B Q00975 1/20 0.34

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
SCHEMBL27589264 0.83 MAPK1 (0.43) GAAALDH1A1MAPTADAMTS5MEN1
SCHEMBL2761726 0.80 GAA (0.40) GAAALDH1A1MAPTHSP90AA1HTT
SCHEMBL25341561 0.73 AR (0.40) ALDH1A1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL30448236 0.73 AR (0.40) ALDH1A1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL25340777 0.73 AR (0.40) ALDH1A1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL25340781 0.73 AR (0.40) ALDH1A1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL30448100 0.73 AR (0.40) ALDH1A1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL28149641 0.72 PDK2 (0.45) ALDH1A1MAPTKMT2AHRH3MAPK1
Tert-Butyl Formate SCHEMBL28094958 0.71 MAPK1 (0.35) GAAALDH1A1ADAMTS5MAPK1
SCHEMBL15858008 0.69 HRH3 (0.48) ADAMTS5HRH3MAPK1MMP2CYP1A2

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 GAA 4111/4885ALDH1A1 1292/4885MAPT 4572/4885
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 GAA 4111/4885ALDH1A1 1292/4885MAPT 4572/4885

“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.