SCHEMBL12425958

SCHEMBL12425958

C[C@H]1CC[C@H](NC(=O)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.67
RAB9A P51151 7/20 0.67
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 2/20 0.65
SMYD3 Q9H7B4 1/20 0.58
GRM5 P41594 1/20 0.58
CARM1 Q86X55 1/20 0.56
PRMT6 Q96LA8 1/20 0.56
MAPK1 P28482 1/20 0.56
TSHR P16473 1/20 0.55
EZH2 Q15910 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54

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
SCHEMBL13649854 1.00 NPC1 (0.67) NPC1RAB9AKMT2AMEN1SMN1; SMN2
Methyl Alcohol SCHEMBL11518098 0.98 NPC1 (0.65) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL517500 0.91 NPC1 (0.65) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2230140 0.91 NPC1 (0.79) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL124395 0.91 NPC1 (0.79) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL8167649 0.90 RAB9A (0.84) NPC1RAB9AKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL27945424 0.89 NPC1 (0.76) NPC1RAB9AKMT2AMEN1SMN1; SMN2
Bicarbonate SCHEMBL11025569 0.89 NPC1 (0.76) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL14574042 0.88 SMYD3 (0.66) NPC1RAB9AKMT2ASMN1; SMN2LMNA
SCHEMBL3642720 0.86 GRM5 (0.73) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 NPC1 1362/4885RAB9A 2962/4885KMT2A 1997/4885

“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.