SCHEMBL72484

SCHEMBL72484

[CH2]CCOc1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 4/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
MAOB P27338 1/20 0.50
AOC3 Q16853 1/20 0.50
ALOX15 P16050 1/20 0.49
LTA4H P09960 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
LMNA P02545 2/20 0.48
NR4A2 P43354 1/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL7433998 0.91 L3MBTL1 (0.57) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL535459 0.85 L3MBTL1 (0.54) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL10458221 0.84 L3MBTL1 (0.60) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL31096458 0.82 L3MBTL1 (0.59) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL2091560 0.82 L3MBTL1 (0.59) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL3524104 0.82 L3MBTL1 (0.59) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL6474696 0.82 L3MBTL1 (0.56) L3MBTL1LMNANR4A2PKMHTT
SCHEMBL40097 0.82 L3MBTL1 (0.59) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL6573378 0.82 L3MBTL1 (0.59) L3MBTL1KDM4EMRGPRX4MAOBAOC3
SCHEMBL9721587 0.82 L3MBTL1 (0.59) L3MBTL1KDM4EMRGPRX4MAOBAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
US-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US claimed
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US claimed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US claimed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2020-03-17 US disclosed
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL SA (ES) 2019-06-20 US disclosed
CN-106518899-B Four Boroethane class compounds of one kind and preparation method thereof 中国科学技术大学 2018-10-23 CN disclosed
US-10034867-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2018-07-31 US disclosed
WO-1997033874-A1 PYRIMIDYL PHENYL AND BENZYL ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 WO disclosed
CN-1152908-A Phenyl acetic acid derivatives, process and intermediate products for their production and agents containing them BASF AG (DE) 1997-06-25 CN disclosed
EP-0120352-B1 DERIVATIVES OF N-ACYLANTHRANILIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATING WEEDS BASF Aktiengesellschaft (DE) 1990-06-13 EP disclosed
US-4880933-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-11-14 US disclosed
EP-0120352-A1 Derivatives of N-acylanthranilic acids, process for their preparation and their use in combating weeds BASF Aktiengesellschaft (DE) 1984-10-03 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 (7 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E L3MBTL1 3702/4885KDM4E 1122/4885MRGPRX4 196/4885
US-10034867-B2 Quinuclidine derivatives and medicinal compositions containing the same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, OPRD1 L3MBTL1 4416/4885KDM4E 3045/4885MRGPRX4 1150/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 L3MBTL1 3592/4885KDM4E 927/4885MRGPRX4 219/4885
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRNB1, ARRB1 L3MBTL1 4238/4885KDM4E 3852/4885MRGPRX4 128/4885
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same CHRM3, QDPR, CHRM2 L3MBTL1 4257/4885KDM4E 3919/4885MRGPRX4 517/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E L3MBTL1 3702/4885KDM4E 1122/4885MRGPRX4 196/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 L3MBTL1 3592/4885KDM4E 927/4885MRGPRX4 219/4885

“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.