SCHEMBL6901464

SCHEMBL6901464

O=C(O)CC1CCCc2c1n(Cc1ccc(F)cc1)c1c(F)cc(F)cc21

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.89
PTGDR Q13258 8/20 0.89
MEN1 O00255 1/20 0.81
ALDH1A1 P00352 1/20 0.81
CYP3A4 P08684 1/20 0.81
MAPT P10636 1/20 0.81
CYP2C9 P11712 1/20 0.81
HPGD P15428 1/20 0.81
MAPK1 P28482 1/20 0.81
CYP2C19 P33261 1/20 0.81
KMT2A Q03164 1/20 0.81
HSD17B10 Q99714 1/20 0.81
PDE2A O00408 9/20 0.73
PTGER3 P43115 3/20 0.64
PTGER2 P43116 3/20 0.64
PTGIR P43119 3/20 0.64
PTGER1 P34995 2/20 0.64
PTGFR P43088 2/20 0.64
PTGER4 P35408 1/20 0.64
PDE4A P27815 1/20 0.60

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
SCHEMBL9518470 0.94 TBXA2R (1.00) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL6949873 0.91 PDE2A (0.85) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL6901522 0.91 PTGDR (0.81) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL6907420 0.91 TBXA2R (0.80) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL6903085 0.91 TBXA2R (0.80) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL10471370 0.90 TBXA2R (0.78) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL3044967 0.90 MEN1 (1.00) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL6948603 0.89 TBXA2R (0.77) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL6949862 0.89 TBXA2R (0.77) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL6903358 0.89 PTGDR (0.77) TBXA2RPTGDRMEN1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310179-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1989-04-05 EP claimed
EP-0307077-A1 Tetrahydrocarbazoles for the improvement of cyclosporin therapy MERCK FROSST CANADA INC. (CA) 1989-03-15 EP claimed
EP-0300676-A2 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1989-01-25 EP claimed
US-20040092477-A1 Compositions for the treatment and prevention of arterial thrombosis and use of an inhibitor of factor Xa alone and/or in combination with an anti-platelet aggregation agent SANOFI-AVENTIS (FR) 2004-05-13 US disclosed
US-6541488-B1 Synergistic combination of a pentasaccharide sulfamate and ethyl N-(1-ethoxycarbonylmethylpiperidin-4-yl)-N-(4-(4-((N -ethoxycarbonylimino)(amino)methyl)phenyl)-thiazol-2-yl)-3-aminopropionate SANOFI-SYNTHELABO (FR) 2003-04-01 US disclosed
US-4940719-A Tetrahydrocarbazole esters, pharmaceutical compositions and use MERCK FROSST CANADA, INC. (CA) 1990-07-10 US disclosed
EP-0310179-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1989-04-05 EP disclosed
EP-0307077-A1 Tetrahydrocarbazoles for the improvement of cyclosporin therapy MERCK FROSST CANADA INC. (CA) 1989-03-15 EP disclosed
US-4808608-A ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT MERCK & CO., INC. (US) 1989-02-28 US 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-20040092477-A1 Compositions for the treatment and prevention of arterial thrombosis and use of an inhibitor of factor Xa alone and/or in combination with an anti-platelet aggregation agent SERPINC1, PLAT, F12 TBXA2R 28/4885PTGDR 517/4885MEN1 1511/4885

“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.