SCHEMBL17845844

SCHEMBL17845844

COC(=O)c1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cnc1N1CC2(CCOCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 15/20 0.40
▸ VNN1 O95497 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL17845845 0.89 VNN1 (0.35) VNN1
SCHEMBL19454417 0.86 OPRK1 (0.42) OPRK1ALDH1A1
SCHEMBL19704362 0.82 OPRK1 (0.39) OPRK1ALDH1A1
SCHEMBL17675350 0.78 OPRK1 (0.62) OPRK1
SCHEMBL17856546 0.78 OPRK1 (0.46) OPRK1
SCHEMBL17845839 0.77 OPRK1 (0.48) OPRK1VNN1
SCHEMBL17845846 0.76 OPRK1 (0.46) OPRK1
SCHEMBL17675584 0.76 OPRK1 (0.51) OPRK1
SCHEMBL19454416 0.73 VNN1 (0.33) OPRK1VNN1
SCHEMBL20619501 0.71 NR4A2 (0.41) OPRK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626126-B2 Compounds PULMOCIDE LIMITED (GB) 2020-04-21 — — US disclosed
US-20190092791-A1 COMPOUNDS PULMOCIDE LIMITED (GB) 2019-03-28 — — US disclosed
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
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-2017175000-A1 COMPOUNDS PULMOCIDE LIMITED (GB) 2017-10-12 — — WO 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 (4 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-10626126-B2 Compounds QDPR, TXNRD2, TXNRD3 OPRK1 4316/4885VNN1 427/4885ALDH1A1 932/4885
US-20190092791-A1 COMPOUNDS QDPR, TXNRD2, TXNRD3 OPRK1 4316/4885VNN1 427/4885ALDH1A1 932/4885
US-10160772-B2 5,6-dihydro-4H-benzo[b]thieno-[2,3-d]azepine derivatives ZC3HAV1, DDX5, DPP4 OPRK1 3339/4885VNN1 1072/4885ALDH1A1 1709/4885
US-20170355718-A1 Novel 5,6-Dihydro-4H-benzo[b]thieno-[2,3-d]azepine derivatives DDX5, ZC3HAV1, MAVS OPRK1 3678/4885VNN1 794/4885ALDH1A1 2557/4885

“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.

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