SCHEMBL16699848

SCHEMBL16699848

CN(C)c1ccc(CN(Cc2ccccc2)Cc2ccc(N(C)C)cc2)cc1.CS(=O)(=O)O

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 known ✓ Q07820 2/20 0.44
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
CNR2 P34972 5/20 0.55
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
MMP13 P45452 2/20 0.49
NR3C2 P08235 1/20 0.48
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
G6PC1 P35575 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
NFKB2 Q00653 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
SCHEMBL16700371 0.88 CNR2 (0.66) KMT2AMEN1CNR2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL15393066 0.86 CNR2 (0.63) KMT2AMEN1CNR2ALDH1A1MAPT
SCHEMBL16699685 0.84 CNR2 (0.78) CNR2
SCHEMBL16699980 0.81 BACE1 (0.50) KMT2AMEN1CNR2ALDH1A1RAB9A
SCHEMBL16700016 0.80 TAS2R14 (0.58) KMT2AMEN1
Hydrochloric Acid SCHEMBL16700722 0.79 TAS2R14 (0.56) KMT2AMEN1
Hydrochloric Acid SCHEMBL16700720 0.79 TAS2R14 (0.56) KMT2AMEN1
SCHEMBL16700311 0.79 RAB9A (0.49) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL8763535 0.78 ALDH1A1 (0.71) KMT2AMEN1NR3C2ALDH1A1RAB9A
SCHEMBL18941032 0.78 CNR2 (0.64) KMT2AMEN1CNR2ALDH1A1G6PC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861568-B1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIV OSLO (NO) 2019-04-17 EP 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-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 MCL1 4704/4885KMT2A 976/4885MEN1 3450/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 MCL1 4694/4885KMT2A 904/4885MEN1 3518/4885

“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.