SCHEMBL9891784

SCHEMBL9891784

Cc1ccc(N2C(=O)CCC2C(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
P2RX3 P56373 2/20 0.37
P2RX2 Q9UBL9 2/20 0.37
GPR119 Q8TDV5 1/20 0.36
IDH1 O75874 3/20 0.36
CNR1 P21554 2/20 0.36

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 0.84 GAA (0.42) NPC1TP53SMN1; SMN2GPR119IDH1
SCHEMBL9891779 0.84 HRH3 (0.42) HRH3GPR119IDH1CNR1CNR2
SCHEMBL9891785 0.82 HRH3 (0.44) HRH3IDH1
SCHEMBL9891783 0.81 CNR1 (0.51) NPC1TP53RAB9ASMN1; SMN2HRH3
SCHEMBL9891781 0.81 CNR1 (0.50) GPR119IDH1CNR1CNR2PANK3
SCHEMBL16480457 0.81 NPC1 (0.45) NPC1TP53PKMSTAT3STAT1
SCHEMBL9891782 0.78 KDM4E (0.46) SMN1; SMN2HRH3IDH1
SCHEMBL9891751 0.77 GAA (0.42) RAB9A
SCHEMBL9107192 0.76 NPC1 (0.44) NPC1TP53PKMSTAT3STAT1
SCHEMBL9107658 0.76 NPC1 (0.44) NPC1TP53PKMSTAT3STAT1

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 NPC1 1904/4885TP53 4450/4885PKM 2979/4885

“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.