SCHEMBL4501099

SCHEMBL4501099

CC(C)(C)n1ncc2c(=O)[nH]c(C3CN(C(=O)OCC4CCCCC4)C3)nc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PDE9A O76083 12/20 0.39
TYK2 P29597 1/20 0.39
PDE1C Q14123 4/20 0.39
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PDE1B Q01064 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4511763 0.86 PDE9A (0.56) PDE9APDE1CHDAC1HDAC2HDAC6
SCHEMBL13865747 0.84 TYK2 (0.40) NPC1RAB9APDE9ATYK2PDE1C
SCHEMBL4511767 0.83 ALDH1A1 (0.51) PDE9ATYK2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13865757 0.81 TYK2 (0.42) NPC1RAB9APDE9ATYK2PDE1C
SCHEMBL13865739 0.79 TYK2 (0.41) NPC1RAB9APDE9ATYK2PDE1C
SCHEMBL13865948 0.79 PDE9A (0.49) PDE9APDE1CHDAC1HDAC2HDAC6
SCHEMBL13865751 0.78 MAPT (0.41) PDE9ATYK2KMT2ASMN1; SMN2PDE1B
SCHEMBL13865760 0.77 TYK2 (0.41) NPC1RAB9APDE9ATYK2KMT2A
SCHEMBL13865780 0.76 TYK2 (0.46) PDE9ATYK2PDE1C
SCHEMBL4515638 0.76 PDE9A (0.42) PDE9ATYK2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO claimed
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 US disclosed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 US disclosed
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO 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 (5 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-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A NPC1 3036/4885RAB9A 2684/4885PDE9A 40/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A NPC1 2017/4885RAB9A 2737/4885PDE9A 29/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B NPC1 3876/4885RAB9A 1318/4885PDE9A 13/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A NPC1 3036/4885RAB9A 2684/4885PDE9A 40/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A NPC1 2167/4885RAB9A 2867/4885PDE9A 34/4885

“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.