SCHEMBL16706665

SCHEMBL16706665

C=C(NC(C)c1ccccc1)c1csc(CN(Cc2ccc(OC)cc2)Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 2/20 0.41
TP53 P04637 1/20 0.41
HTR1A P08908 1/20 0.41
CNR1 P21554 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BCHE P06276 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MMP1 P03956 3/20 0.41
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
MMP13 P45452 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BMP1 P13497 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
SCHEMBL16706673 0.93 KDM4E (0.45) GPR55TP53HTR1ACNR1HTR7
SCHEMBL18938817 0.91 MCHR1 (0.46) SMN1; SMN2KMT2AMMP1MMP2MMP9
SCHEMBL16706788 0.89 BCHE (0.43) TP53SMN1; SMN2BCHEKMT2AALDH1A1
SCHEMBL16706685 0.88 BCHE (0.43) TP53SMN1; SMN2BCHEKMT2AMMP1
SCHEMBL16706674 0.87 SMN1; SMN2 (0.49) GPR55TP53HTR1ACNR1HTR7
SCHEMBL16706678 0.86 ALDH1A1 (0.49) SMN1; SMN2KMT2AALDH1A1NPSR1KDM4E
SCHEMBL16710083 0.84 KDM4E (0.49) SMN1; SMN2KMT2AMMP1MMP2MMP9
SCHEMBL16706782 0.83 MMP13 (0.41) SMN1; SMN2KMT2AMEN1MMP1MMP2
SCHEMBL16706803 0.83 ALDH1A1 (0.44) SMN1; SMN2MMP1MMP2MMP9MMP13
SCHEMBL16706681 0.82 MMP13 (0.56) MMP1MMP2MMP9MMP13KDM4E

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 GPR55 2038/4885TP53 4770/4885HTR1A 1263/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 GPR55 1158/4885TP53 4732/4885HTR1A 1167/4885

“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.