SCHEMBL9891796

SCHEMBL9891796

CC(C)C(=O)Nc1nc2cc(Cl)ccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
MAPT P10636 1/20 0.57
ATAD2 Q6PL18 1/20 0.57
DYRK1A Q13627 4/20 0.57
FSCN1 Q16658 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
IDO1 P14902 1/20 0.56
FFAR2 O15552 1/20 0.56
PPARA Q07869 3/20 0.52
ALDH1A1 P00352 1/20 0.52
SENP7 Q9BQF6 3/20 0.50
CASP3 P42574 2/20 0.50
CLK1 P49759 1/20 0.50
ACP1 P24666 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
DHODH Q02127 1/20 0.50

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
SCHEMBL9893066 0.84 DYRK1A (0.78) NPC1RAB9AHTTMAPTDYRK1A
SCHEMBL13390826 0.81 ATAD2 (0.81) NPC1RAB9ALMNAHTTMAPT
SCHEMBL9891513 0.81 NPC1 (0.57) NPC1RAB9ALMNAMAPTDYRK1A
SCHEMBL9892912 0.81 RAB9A (0.68) NPC1RAB9AMAPTDYRK1AFSCN1
SCHEMBL30553310 0.80 NPC1 (0.74) NPC1RAB9ALMNAMAPTATAD2
SCHEMBL9036463 0.80 NPC1 (0.74) NPC1RAB9ALMNAMAPTATAD2
SCHEMBL10935898 0.80 DYRK1A (0.59) NPC1RAB9AMAPTDYRK1AFSCN1
SCHEMBL11100178 0.80 PPARA (0.57) DYRK1AFSCN1SMN1; SMN2IDO1FFAR2
SCHEMBL18851598 0.78 KDM4E (0.63) NPC1RAB9ALMNAHTTMAPT
SCHEMBL11716373 0.77 MAPT (0.59) NPC1RAB9AMAPTDYRK1AFSCN1

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 NPC1 1904/4885RAB9A 2299/4885LMNA 4696/4885

“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.