SCHEMBL3333337

SCHEMBL3333337

Cc1ccccc1C(=O)NC1CCN(C)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
POLB P06746 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
GLA P06280 1/20 0.59
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
ALDH1A1 P00352 2/20 0.58
ALOX15 P16050 1/20 0.57
HTR7 P34969 2/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CHRM1 P11229 2/20 0.56

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
SCHEMBL3329899 0.91 NPC1 (0.70) NPC1RAB9APOLBSMN1; SMN2GLA
SCHEMBL13161963 0.88 NPC1 (0.65) NPC1RAB9APOLBSMN1; SMN2GLA
SCHEMBL31188489 0.84 NPC1 (0.56) NPC1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL31188531 0.84 NPC1 (0.56) NPC1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL13634474 0.83 KMT2A (0.66) NPC1RAB9APOLBSMN1; SMN2GLA
SCHEMBL457993 0.81 NPC1 (0.84) NPC1RAB9APOLBSMN1; SMN2GLA
SCHEMBL28249225 0.81 HTR7 (0.63) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL358264 0.81 CTSL (0.63) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL10274561 0.81 CTSL (0.63) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL20477092 0.80 TAS1R3 (0.56) NPC1RAB9APOLBSMN1; SMN2GLA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US claimed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US claimed
EP-2074103-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS Exelixis, Inc. (US) 2009-07-01 EP claimed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 WO claimed

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-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 NPC1 2501/4885RAB9A 2601/4885POLB 4306/4885

“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.