SCHEMBL17845871

SCHEMBL17845871

C=CCOC(=O)c1cc(Br)cnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SNCA P37840 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 2/20 0.34
OPRK1 P41145 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2782609 0.81 OPRK1 (0.48) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL28533997 0.78 ALDH1A1 (0.46) HSD17B10ALDH1A1KDM4ERXFP1OPRK1
SCHEMBL733159 0.75 OPRK1 (0.49) OPRK1
SCHEMBL28535766 0.75 OPRK1 (0.48) ALDH1A1MEN1KMT2AKDM4EOPRK1
SCHEMBL3601469 0.74 CYP3A4 (0.50) CYP3A4TSHRHSD17B10ALDH1A1GAA
SCHEMBL9471700 0.74 CYP3A4 (0.63) CYP3A4TSHRHSD17B10ALDH1A1MEN1
SCHEMBL1600624 0.73 OPRK1 (0.42) TSHRHSD17B10ALDH1A1OPRK1SMN1; SMN2
SCHEMBL10906862 0.73 CYP3A4 (0.61) CYP3A4TSHRHSD17B10ALDH1A1GAA
SCHEMBL29225979 0.73 CYP3A4 (0.61) CYP3A4TSHRHSD17B10ALDH1A1GAA
SCHEMBL30933424 0.73 CYP3A4 (0.61) CYP3A4TSHRHSD17B10ALDH1A1GAA

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
US-10160772-B2 5,6-dihydro-4H-benzo[b]thieno-[2,3-d]azepine derivatives PULMOCIDE LIMITED (GB) 2018-12-25 US disclosed
EP-3233867-B1 4,5-DIHYDRO-6H-THIENO[3,2-D]BENZAZEPINE DERIVATIVES AND THEIR USE TO TREAT RESPIRATORY SYNCYTIAL VIRUS (RSV) INFECTIONS PULMOCIDE LTD (GB) 2018-10-17 EP disclosed
US-20170355718-A1 Novel 5,6-Dihydro-4H-benzo[b]thieno-[2,3-d]azepine derivatives PULMOCIDE LIMITED (GB) 2017-12-14 US disclosed
EP-3233867-A1 4,5-DIHYDRO-6H-THIENO[3,2-D]BENZAZEPINE DERIVATIVES AND THEIR USE TO TREAT RESPIRATORY SYNCYTIAL VIRUS (RSV) INFECTIONS Pulmocide Limited (GB) 2017-10-25 EP disclosed
WO-2016097761-A1 4,5-DIHYDRO-6H-THIENO[3,2-D]BENZAZEPINE DERIVATIVES AND THEIR USE TO TREAT RESPIRATORY SYNCYTIAL VIRUS (RSV) INFECTIONS PULMOCIDE LIMITED (GB) 2016-06-23 WO 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-10160772-B2 5,6-dihydro-4H-benzo[b]thieno-[2,3-d]azepine derivatives ZC3HAV1, DDX5, DPP4 CYP3A4 293/4885TSHR 2685/4885HSD17B10 2497/4885
US-20170355718-A1 Novel 5,6-Dihydro-4H-benzo[b]thieno-[2,3-d]azepine derivatives DDX5, ZC3HAV1, MAVS CYP3A4 217/4885TSHR 2756/4885HSD17B10 2677/4885

“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.