SCHEMBL236798

SCHEMBL236798

CCOC(=O)c1cnc2cc(C3CCC3)nn2c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPT P10636 4/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
GAA P10253 3/20 0.59
CYP2C19 P33261 3/20 0.59
CYP2C9 P11712 2/20 0.59
ALDH1A1 P00352 5/20 0.53
CSNK1D P48730 2/20 0.53
KDM4E B2RXH2 9/20 0.51
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
HPGD P15428 4/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 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
SCHEMBL239039 0.95 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL2755219 0.87 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL2755116 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL20768146 0.80 KDM4E (0.47) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL238576 0.78 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL238840 0.78 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL2755213 0.77 RAB9A (0.83) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL16986797 0.77 KDM4E (0.42) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL235867 0.77 RAB9A (0.69) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL236799 0.76 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 NPC1 1127/4885RAB9A 778/4885SMN1; SMN2 3442/4885

“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.