SCHEMBL16706677

SCHEMBL16706677

Cc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)NCC(C)C)cs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
FAAH O00519 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCHE P06276 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
S1PR2 O95136 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
ATM Q13315 1/20 0.43
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL18427194 0.92 NPC1 (0.49) NPC1RAB9ALMNAL3MBTL1BCHE
SCHEMBL16710024 0.91 TDP1 (0.57) NPC1FAAHTDP1LMNAL3MBTL1
SCHEMBL18939745 0.91 RAB9A (0.48) NPC1RAB9ALMNABCHEHPGD
SCHEMBL16706705 0.90 OGA (0.48) NPC1RAB9AFAAHTDP1LMNA
SCHEMBL16706793 0.89 FAAH (0.51) NPC1RAB9AFAAHTDP1L3MBTL1
SCHEMBL16706771 0.89 TDP1 (0.42) NPC1RAB9AFAAHTDP1LMNA
SCHEMBL16706691 0.88 KMT2A (0.50) NPC1RAB9AFAAHTDP1LMNA
SCHEMBL16706789 0.87 MEN1 (0.52) NPC1RAB9AFAAHTDP1LMNA
SCHEMBL16706778 0.87 TDP1 (0.50) FAAHTDP1LMNAL3MBTL1NPSR1
SCHEMBL16710131 0.87 TDP1 (0.50) RAB9AFAAHTDP1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 US disclosed
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 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 (2 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 NPC1 1181/4885RAB9A 1672/4885FAAH 1296/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 NPC1 1465/4885RAB9A 1933/4885FAAH 1670/4885

“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.