SCHEMBL9891767

SCHEMBL9891767

Cc1cc(N2C(=O)CCC2C(C)C)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
CCR2 P41597 1/20 0.43
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CNR2 P34972 1/20 0.34
BRD9 Q9H8M2 2/20 0.34
BRD7 Q9NPI1 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 1/20 0.33
AR P10275 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL9891770 0.89 PKM (0.46) SLC6A2SLC6A4SLC6A3PKMALDH1A1
SCHEMBL9891759 0.89 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL9891766 0.85 IDO1 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL9891773 0.83 HDAC1 (0.36) CCR1CCR2MDM2
SCHEMBL9891760 0.82 KMT2A (0.45) SLC6A2SLC6A4SLC6A3BRD9ALDH1A1
SCHEMBL16480426 0.81 SLC6A2 (0.53) CCR1CCR2SLC6A2SLC6A4SLC6A3
SCHEMBL9891731 0.81 CNR2 (0.42) CCR1CCR2CNR2ALDH1A1NOTUM
SCHEMBL9891763 0.81 CCR1 (0.43) CCR1CCR2ALDH1A1TP53
SCHEMBL9891757 0.80 MDM2 (0.47) CCR1CCR2ALDH1A1NOTUMTP53
SCHEMBL9891751 0.79 GAA (0.42) CCR1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CCR1 158/4885CCR2 6/4885SLC6A2 2741/4885

“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.