SCHEMBL9891816

SCHEMBL9891816

COCC(C)(C)c1cc(NC(=O)C(C)C)no1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
BRAF P15056 1/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAF1 P04049 1/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK14 Q16539 1/20 0.39
EPHX2 P34913 2/20 0.39
ATM Q13315 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL14693390 0.89 EGFR (0.41) EGFRBRAFRAB9ANPC1POLB
SCHEMBL9893025 0.86 EGFR (0.48) EGFRBRAFRAB9ANPC1POLB
SCHEMBL9891531 0.84 EGFR (0.47) EGFRBRAFRAB9ANPC1POLB
SCHEMBL9891820 0.84 EGFR (0.49) EGFRBRAFRAB9ANPC1POLB
SCHEMBL9892787 0.83 EGFR (0.52) EGFRBRAFRAB9ANPC1POLB
SCHEMBL10817868 0.83 BRAF (0.48) EGFRBRAFRAB9ANPC1POLB
SCHEMBL12566507 0.83 EGFR (0.46) EGFRBRAFRAB9ANPC1POLB
SCHEMBL9891807 0.82 EGFR (0.60) EGFRRAB9ANPC1POLBHPGD
SCHEMBL13413838 0.78 EGFR (0.46) EGFRRAB9ANPC1POLBHPGD
SCHEMBL2236842 0.78 CNR2 (0.44) BRAFNPC1MAPTCNR1CNR2

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 7 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-8362039-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 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
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-8048899-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (3 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-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EGFR 862/4885BRAF 4101/4885RAB9A 2352/4885
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EGFR 971/4885BRAF 4283/4885RAB9A 2553/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EGFR 970/4885BRAF 4098/4885RAB9A 2299/4885

“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.