SCHEMBL8090414

SCHEMBL8090414

CC1(C)Oc2ccc(C#N)cc2[C@@H](O)[C@@H]1Br

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ABCB1 P08183 10/20 0.55
ABCC9 O60706 3/20 0.54
KCNE1 P15382 3/20 0.53
KCNQ1 P51787 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
KMT2A Q03164 1/20 0.53
KCND3 Q9UK17 1/20 0.53
ABCC8 Q09428 2/20 0.51
KCNJ11 Q14654 2/20 0.51
KCNJ8 Q15842 2/20 0.51
CYP2C9 P11712 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL8090417 1.00 KDM4E (0.56) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL8090416 1.00 KDM4E (0.56) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL482281 0.88 KDM4E (0.62) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9185586 0.88 KDM4E (0.62) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9185591 0.88 KDM4E (0.62) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL10642982 0.85 KDM4E (0.60) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL8076989 0.85 KDM4E (0.56) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9194163 0.85 KDM4E (0.60) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL10642972 0.85 KDM4E (0.60) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9210518 0.84 KDM4E (0.55) KDM4EABCB1ABCC9KCNE1KCNQ1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409651-B1 New Process for the preparation of anti-hypertensive benzopyran derivative ALKALOIDA VEGYESZETI GYAR (HU) 1995-05-03 EP claimed
EP-0409651-A1 New Process for the preparation of anti-hypertensive benzopyran derivative ALKALOIDA VEGYESZETI GYAR (HU) 1991-01-23 EP claimed
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
EP-0385584-B1 Method for the preparation of 4-(cyclic-amido)-2H-1-benzopyrans and 4-amino-3-hydroxy-2H-1-benzopyrans BEECHAM GROUP PLC (GB) 1995-05-24 EP disclosed
EP-0409651-B1 New Process for the preparation of anti-hypertensive benzopyran derivative ALKALOIDA VEGYESZETI GYAR (HU) 1995-05-03 EP disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0412760-B1 Benzopyran derivatives BEECHAM GROUP PLC (GB) 1994-11-23 EP disclosed
US-5223629-A Reacting 4-cyanophenol with isoprene, followed by bromination, dehydrobromination and reaction with 2-pyrrolidone, potassium channel activators ALKALOIDA VEGYESZETI GYAR (HU) 1993-06-29 US disclosed
EP-0277611-B1 ALKYL-SUBSTITUTED N-BENZOPYRANYL LACTAMES, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS ON THE BASIS OF THESE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-16 EP disclosed
US-5145985-A From cyanophenol and isoprene and pyrrolidone, Kromakalim ALKALOIDA VEGYESZETI GYAR (HU) 1992-09-08 US disclosed
EP-0120427-A1 3,4-Dihydro-thiaoxo-1-pyrrolidinyl-or piperidinyl-ZH-benzo[b]pyrons BEECHAM GROUP PLC (GB) 1984-10-03 EP disclosed
US-4446113-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1984-05-01 US disclosed
EP-0095316-A1 Pharmaceutically active aminobenzopyrans BEECHAM GROUP PLC (GB) 1983-11-30 EP disclosed
EP-0093535-A1 Novel chromenes and chromans BEECHAM GROUP PLC (GB) 1983-11-09 EP disclosed
US-4391815-A VASODILATION, HYPOTENSIVE BEECHAM GROUP LIMITED (GB) 1983-07-05 US disclosed
EP-0009912-B1 CHROMANOL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM BEECHAM GROUP PLC (GB) 1983-06-22 EP disclosed
EP-0076075-A1 Pharmaceutically active benzopyran compounds BEECHAM GROUP PLC (GB) 1983-04-06 EP disclosed
US-4251537-A Hypotensive 3,4-dihydro-2,2-dimethyl-4-amino-2H-benzo[b]pyran-3-ols BEECHAM GROUP LIMITED (GB) 1981-02-17 US disclosed
EP-0009912-A1 Chromanol derivatives, a process for their preparation and pharmaceutical compositions comprising them BEECHAM GROUP PLC (GB) 1980-04-16 EP disclosed