SCHEMBL4053483

SCHEMBL4053483

O=C1c2ccccc2CCc2ccncc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.61
MAOA P21397 2/20 0.60
MAOB P27338 1/20 0.60
CYP19A1 P11511 12/20 0.55
CYP11B2 P19099 7/20 0.55
MIF P14174 3/20 0.55
PKM P14618 2/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP11B1 P15538 2/20 0.45
TNF P01375 1/20 0.45

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
SCHEMBL4062450 0.89 CES1 (0.61) CES1MAOAMAOBCYP19A1CYP11B2
SCHEMBL13741459 0.84 CYP19A1 (0.50) CES1MAOAMAOBCYP19A1CYP11B2
SCHEMBL44496 0.82 CES1 (0.90) CES1MAOAMAOBCYP19A1CYP11B2
SCHEMBL29408351 0.82 CES1 (0.90) CES1MAOAMAOBCYP19A1CYP11B2
SCHEMBL29437756 0.82 CES1 (0.90) CES1MAOAMAOBCYP19A1CYP11B2
SCHEMBL11660603 0.80 MAOB (0.55) MAOAMAOBCYP19A1PKMALDH1A1
SCHEMBL6387837 0.79 CYP19A1 (0.47) CES1MAOAMAOBCYP19A1CYP11B2
SCHEMBL6388288 0.79 CYP19A1 (0.47) CES1MAOAMAOBCYP19A1CYP11B2
SCHEMBL3066734 0.78 MAOA (0.87) CES1MAOAMAOBMAPK1ALDH1A1
SCHEMBL23154411 0.78 MAOA (0.67) CES1MAOAMAOBCYP19A1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256468-B1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2020-04-08 EP disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1973882-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2008-10-01 EP disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
WO-2007084498-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 US disclosed
EP-1458684-A2 THERAPEUTIC HETEROCYCLES AstraZeneca AB (SE) 2004-09-22 EP disclosed
EP-0270818-B1 Benzo(5,6)cycloheptapyridines, compositions and method of use SCHERING CORP (US) 1994-12-28 EP disclosed
EP-0396083-B1 Heterocyclic N-oxide derivatives of substituted benzo[5,6]cycloheptapyridines, compositions and methods of use SCHERING CORP (US) 1994-11-30 EP disclosed
US-5151423-A Antiinflammatory agents or antiallergens SCHERING CORPORATION (US) 1992-09-29 US disclosed
EP-0471750-A1 HETEROCYCLIC N-OXIDE DERIVATIVES OF SUBSTITUTED BENZO 5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1992-02-26 EP disclosed
US-5089496-A Benzo[5,6]cycloheptapyridine compounds, compositions and method of treating allergies SCHERING CORPORATION (US) 1992-02-18 US disclosed
WO-1990013548-A1 HETEROCYCLIC N-OXIDE DERIVATIVES OF SUBSTITUTED BENZO[5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1990-11-15 WO disclosed
EP-0396083-A1 Heterocyclic N-oxide derivatives of substituted benzo[5,6]cycloheptapyridines, compositions and methods of use SCHERING CORPORATION (US) 1990-11-07 EP disclosed
EP-0330673-A1 BENZO 5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1989-09-06 EP disclosed
EP-0270818-A1 Benzo(5,6)cycloheptapyridines, compositions and method of use SCHERING CORPORATION (US) 1988-06-15 EP disclosed
WO-1988003138-A1 BENZO[5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1988-05-05 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-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS CES1 21/4885MAOA 4189/4885MAOB 4046/4885
US-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 CES1 2955/4885MAOA 1310/4885MAOB 564/4885

“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.