SCHEMBL1780501

SCHEMBL1780501

COC(=O)C1C(O)CC(C)CC1(C)c1cccc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.47
HTT P42858 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 2/20 0.38
ATM Q13315 1/20 0.38
CYP3A4 P08684 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
XDH P47989 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 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
SCHEMBL3237823 0.89 CCR2 (0.50) CCR2SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL1783197 0.78 CCR2 (0.46) CCR2HTTSLC6A2SLC6A4SLC6A3
SCHEMBL1779901 0.77 MEN1 (0.37) CCR2SLC6A4SLC6A3ATMALDH1A1
SCHEMBL1780502 0.70 CCR2 (0.50) CCR2SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL1833463 0.70 CCR2 (0.50) CCR2SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL3233210 0.68 CCR2 (0.49) CCR2HTTSLC6A2SLC6A3CYP3A4
SCHEMBL3226941 0.67 CCR2 (0.40) CCR2MAPTALDH1A1MEN1KMT2A
SCHEMBL1781978 0.67 CCR2 (0.42) CCR2HTTSLC6A2SLC6A3CYP3A4
Bicarbonate SCHEMBL14237231 0.64 CCR2 (0.58) CCR2SLC6A2SLC6A4SLC6A3
SCHEMBL1780947 0.64 CCR2 (1.00) CCR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118354-A1 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
EP-2318352-A2 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2011-05-11 EP 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-20110118354-A1 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CCR2 2/4885HTT 3762/4885SLC6A2 4225/4885

“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.