SCHEMBL6176772

SCHEMBL6176772

Fc1ccc(CCc2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.57
GAA P10253 1/20 0.54
CYP2A6 P11509 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
ELOVL1 Q9BW60 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HRH4 Q9H3N8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
HRH1 P35367 2/20 0.50
POLB P06746 1/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
GRM2 Q14416 1/20 0.48

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
SCHEMBL724866 0.85 CHRNA7 (0.74) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL29485692 0.85 CHRNA7 (0.74) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL3758352 0.84 TBXAS1 (0.56) GAACYP1A2CYP2D6HRH4HRH3
SCHEMBL8700016 0.83 CYP1A2 (0.66) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL7705277 0.81 CHRNA7 (0.63) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL9829440 0.81 TAAR1 (0.53) CHRNA7GAACYP2A6CYP1A2CYP2D6
SCHEMBL10875855 0.80 POLB (0.54) CHRNA7GAACYP2A6CYP1A2CYP2D6
SCHEMBL1773547 0.80 ESR1 (0.59) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL6888085 0.80 ALDH1A1 (0.59) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL5066561 0.80 CHRNA7 (0.57) CHRNA7CYP2A6CYP1A2CYP2D6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123931-B1 Tricylic amide and urea compounds useful for inhibition of G-protein function and for treatment of proliferative diseases SCHERING CORP (US) 2005-06-01 EP disclosed
US-20020068742-A1 Tricyclic amide and urea compounds useful for inhibition of G-protein function and for treatment of proliferative diseases BISHOP W ROBERT (US) 2002-06-06 US disclosed
US-6365588-B1 AS ANTINEOPLASTIC AGENT AND A POTENTIATING SCHERING CORPORATION 2002-04-02 US disclosed
EP-0723540-B1 TRICYCLIC AMIDE AND UREA COMPOUNDS USEFUL FOR INHIBITION OF G-PROTEIN FUNCTION AND FOR TREATMENT OF PROLIFERATIVE DISEASES SCHERING CORP (US) 2001-12-12 EP disclosed
EP-1123931-A1 Tricylic amide and urea compounds useful for inhibition of G-protein function and for treatment of proliferative diseases SCHERING CORPORATION (US) 2001-08-16 EP disclosed
US-6242458-B1 INHIBITING FARNESYL PROTEIN TRANSFERASE IN A HUMAN SCHERING CORPORATION 2001-06-05 US disclosed
US-5665726-A ANTIALLERGIC, ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1997-09-09 US disclosed
EP-0685476-A1 Benzo(5,6)cycloheptapyridines, compositions and methods of use SCHERING CORPORATION (US) 1995-12-06 EP disclosed
EP-0535152-B1 Bis-benzo or benzopyrido cyclo hepta piperidene, piperidylene and piperazine compounds as PAF antagonists and compositions thereof. SCHERING CORP (US) 1995-08-09 EP disclosed
US-5438062-A Antiallergens, antiinflammatory agents SCHERING CORPORATION (US) 1995-08-01 US 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-1992000293-A1 BIS-BENZO OR BENZOPYRIDO CYCLO HEPTA PIPERIDENE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS AND COMPOSITIONS SCHERING CORPORATION (US) 1992-01-09 WO 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 (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-20020068742-A1 Tricyclic amide and urea compounds useful for inhibition of G-protein function and for treatment of proliferative diseases RASGRP1, CCNA1, CCNA2 CHRNA7 4388/4885GAA 1569/4885CYP2A6 3250/4885

“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.