SCHEMBL9891780

SCHEMBL9891780

CC(C)C1CCC(=O)N1c1ncc(Cl)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ACACB O00763 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
NOTUM Q6P988 1/20 0.33
OGA O60502 1/20 0.32
SRD5A1 P18405 1/20 0.31

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
SCHEMBL9891778 0.81 GAA (0.42) IDH1GPR119TP53MDM2NOTUM
SCHEMBL9892979 0.80 GPR119 (0.35) GPR119NOTUMSRD5A1
SCHEMBL9891731 0.75 CNR2 (0.42) TP53MDM2NOTUMSRD5A1
SCHEMBL3710014 0.73 P2RX7 (0.39)
SCHEMBL3710013 0.73 P2RX7 (0.39)
SCHEMBL9891757 0.72 MDM2 (0.47) TP53MDM2NOTUMSRD5A1
SCHEMBL9891732 0.71 SMN1; SMN2 (0.48)
SCHEMBL9891784 0.71 NPC1 (0.42) IDH1GPR119TP53
SCHEMBL9891779 0.70 HRH3 (0.42) IDH1GPR119
SCHEMBL9891753 0.69 L3MBTL1 (0.47)

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-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

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 IDH1 4245/4885NR1H2 211/4885NR1H3 256/4885

“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.