SCHEMBL9891760

SCHEMBL9891760

CC(C)C1CCC(=O)N1c1ccc(F)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
KAT2B Q92831 2/20 0.40
PIN1 Q13526 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HSP90AA1 P07900 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9891766 0.89 IDO1 (0.38) KMT2AMEN1GAACYP1A2CYP2D6
SCHEMBL9891759 0.87 SLC6A2 (0.49) KMT2AMEN1GAACYP1A2CYP2C19
SCHEMBL9891772 0.87 BPTF (0.39)
SCHEMBL9891770 0.85 PKM (0.46) KMT2AMEN1ALDH1A1LMNASLC6A2
SCHEMBL9891773 0.85 HDAC1 (0.36) CYP1A2CYP2C19
SCHEMBL9891731 0.83 CNR2 (0.42) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL9891763 0.82 CCR1 (0.43) CYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL9891767 0.82 CCR1 (0.43) ALDH1A1SLC6A2SLC6A4SLC6A3BRD9
SCHEMBL9891757 0.82 MDM2 (0.47) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL16480395 0.82 SLC6A2 (0.52) KMT2AMEN1GAACYP1A2CYP2D6

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 KMT2A 3551/4885MEN1 4874/4885GAA 4474/4885

“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.