SCHEMBL16706708

SCHEMBL16706708

Cc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)NC(C)CCc3ccccc3)cs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
MMP13 P45452 6/20 0.45
MMP1 P03956 4/20 0.45
MMP2 P08253 3/20 0.45
MMP9 P14780 3/20 0.45
CNR1 P21554 1/20 0.45
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL16706749 0.93 TAS1R3 (0.53) TAS1R3TAS1R1MMP13MMP1MMP2
SCHEMBL16706728 0.92 TAS1R3 (0.51) TAS1R3TAS1R1MMP13MMP1MMP2
SCHEMBL16706773 0.90 MMP13 (0.53) TAS1R3TAS1R1MMP13MMP1MMP2
SCHEMBL18931474 0.90 MMP13 (0.49) TAS1R3TAS1R1MMP13MMP1MMP2
SCHEMBL16710115 0.89 TAS1R3 (0.50) TAS1R3TAS1R1MMP13MMP1MMP2
SCHEMBL16706691 0.89 KMT2A (0.50) MMP13MMP1MMP2MMP9TSHR
SCHEMBL16706687 0.88 MMP1 (0.45) MMP13MMP1MMP2MMP9TSHR
SCHEMBL16706705 0.88 OGA (0.48) MMP13MMP1MMP2MMP9TSHR
SCHEMBL16706669 0.87 MMP1 (0.45) MMP13MMP1MMP2MMP9TSHR
SCHEMBL16706680 0.87 FAAH (0.54) MMP13MMP1MMP2MMP9TSHR

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 8 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-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
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 TAS1R3 4399/4885TAS1R1 4281/4885MMP13 4810/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 TAS1R3 4529/4885TAS1R1 4418/4885MMP13 4844/4885

“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.