SCHEMBL9891793

SCHEMBL9891793

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.56
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 2/20 0.48
KLF5 Q13887 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 2/20 0.44
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44

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
SCHEMBL9893032 0.84 LMNA (0.63) FFAR2CASP3SENP7NPC1RAB9A
SCHEMBL9891928 0.83 MTOR (0.50) FFAR2CASP3SENP7NPC1RAB9A
SCHEMBL11171719 0.82 NPC1 (0.55) NPC1RAB9APOLBKLF5TDP1
SCHEMBL16253006 0.81 RAB9A (0.48) FFAR2NPC1RAB9APOLBKLF5
SCHEMBL11706151 0.80 NPC1 (0.72) NPC1RAB9APOLBKLF5TDP1
SCHEMBL1106998 0.80 LMNA (0.69) FFAR2CASP3SENP7NPC1RAB9A
SCHEMBL11707745 0.77 NPC1 (0.71) NPC1RAB9APOLBKLF5TDP1
SCHEMBL4151151 0.76 HRH4 (0.47) NPC1RAB9APOLBKLF5TDP1
SCHEMBL23835759 0.75 HRH4 (0.44) HRH4MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5924163 0.75 RAB9A (0.45) FFAR2NPC1RAB9APOLBKLF5

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 FFAR2 190/4885CASP3 2650/4885SENP7 3341/4885

“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.