SCHEMBL9891928

SCHEMBL9891928

CC(C)C(=O)Nc1nc2cc(F)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.50
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.47
KMT2A Q03164 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KDR P35968 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
PTGS1 P23219 1/20 0.45
MAPK1 P28482 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL9893073 0.84 LMNA (0.63) MTORNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9891793 0.83 FFAR2 (0.56) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL10318990 0.81 CYP3A4 (0.63) MTORNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9892357 0.81 MTOR (0.50) MTORNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1106998 0.80 LMNA (0.69) NPC1RAB9ASMN1; SMN2PKMHSD17B10
SCHEMBL16053859 0.76 MTOR (0.43) MTORNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6988665 0.75 MTOR (0.47) MTORNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22183291 0.75 NPC1 (0.60) MTORNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29511356 0.72 TUBB4A (0.75) SMN1; SMN2TP53MEN1KMT2AKDR
SCHEMBL28753103 0.72 TUBB4A (0.75) SMN1; SMN2TP53MEN1KMT2AKDR

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 MTOR 2112/4885NPC1 1904/4885RAB9A 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.