SCHEMBL1956828

SCHEMBL1956828

CCN(CC)CC(=O)OC1CCN(c2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)s2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.68
▸ ABCG2 Q9UNQ0 1/20 0.68
▸ PDE4B Q07343 2/20 0.39
▸ ACHE P22303 2/20 0.35
▸ KDM2B Q8NHM5 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ UBE2N P61088 1/20 0.34
▸ PLEC Q15149 1/20 0.34
▸ SAE1 Q9UBE0 1/20 0.34
▸ UBA2 Q9UBT2 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HTT P42858 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
SCHEMBL1956827 1.00 ABCB1 (0.68) ABCB1ABCG2PDE4BACHEKDM2B
Hydrochloric Acid SCHEMBL1959182 0.99 ABCB1 (0.67) ABCB1ABCG2PDE4BACHEKDM2B
Hydrochloric Acid SCHEMBL1959181 0.99 ABCB1 (0.67) ABCB1ABCG2PDE4BACHEKDM2B
SCHEMBL29400000 0.96 ABCB1 (0.63) ABCB1ABCG2PDE4BACHEKDM2B
SCHEMBL1958340 0.93 ABCB1 (0.69) ABCB1ABCG2PDE4BKDM2BELANE
SCHEMBL1958342 0.93 ABCB1 (0.69) ABCB1ABCG2PDE4BKDM2BELANE
SCHEMBL1959468 0.92 ABCB1 (0.58) ABCB1ABCG2PDE4BMAPTLMNA
SCHEMBL1959467 0.92 ABCB1 (0.58) ABCB1ABCG2PDE4BMAPTLMNA
Hydrochloric Acid SCHEMBL1961487 0.92 ABCB1 (0.68) ABCB1ABCG2PDE4BKDM2BELANE
Hydrochloric Acid SCHEMBL1961488 0.92 ABCB1 (0.68) ABCB1ABCG2PDE4BKDM2BELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — EP claimed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US claimed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 — — EP claimed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US claimed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 — — EP claimed
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — EP disclosed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US disclosed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 — — EP disclosed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US disclosed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 — — EP 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 (1 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-20090253656-A1 BCRP/ABCG2 INHIBITOR ABCC1, ABCB1, BRCA1 ABCB1 2/4885ABCG2 7/4885PDE4B 4786/4885

“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.

Send feedback