SCHEMBL16710034

SCHEMBL16710034

CCCCCCNC(=O)c1csc(CN(Cc2ccc(Cl)cc2)Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TRPV1 Q8NER1 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 3/20 0.40
CNR1 P21554 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
NSD2 O96028 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL16710033 0.99 NPC1 (0.47) NPC1RAB9ATRPV1KMT2AMEN1
SCHEMBL16710110 0.97 NPC1 (0.49) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL18427193 0.93 NPC1 (0.48) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL16710045 0.90 RAB9A (0.46) NPC1RAB9ATRPV1KMT2AMEN1
SCHEMBL16710046 0.89 RAB9A (0.47) NPC1RAB9ATRPV1KMT2AMEN1
SCHEMBL16710111 0.88 ALDH1A1 (0.44) NPC1RAB9AKMT2AMAPK1ALDH1A1
SCHEMBL16710125 0.87 HPGD (0.54) KMT2AMEN1MAPK1ALDH1A1CYP1A2
SCHEMBL16710127 0.87 RAB9A (0.48) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL18427194 0.86 NPC1 (0.49) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL16710097 0.86 MMP13 (0.53) NPC1RAB9AKMT2A

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-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-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 1672/4885TRPV1 3854/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 NPC1 1465/4885RAB9A 1933/4885TRPV1 4213/4885

“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.