SCHEMBL8040907

SCHEMBL8040907

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(C)c(C(C)(C)C)c1)C2

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.85
GAA P10253 1/20 0.37
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
Bromide SCHEMBL1729548 0.93 F2R (0.93) F2RGAAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14449192 0.92 F2R (0.85) F2RGAAALDH1A1SMN1; SMN2L3MBTL1
Atopaxar SCHEMBL30175034 0.92 F2R (1.00) F2RGAAALDH1A1SMN1; SMN2L3MBTL1
Atopaxar SCHEMBL1730339 0.92 F2R (1.00) F2RGAAALDH1A1SMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL1728795 0.92 F2R (0.84) F2RGAAALDH1A1SMN1; SMN2L3MBTL1
Atopaxar SCHEMBL1729065 0.91 F2R (0.98) F2RGAAALDH1A1SMN1; SMN2L3MBTL1
Atopaxar SCHEMBL1728925 0.91 F2R (1.00) F2RGAAALDH1A1SMN1; SMN2L3MBTL1
Atopaxar SCHEMBL30008036 0.91 F2R (1.00) F2RGAAALDH1A1SMN1; SMN2L3MBTL1
Atopaxar SCHEMBL29904776 0.91 F2R (1.00) F2RGAAALDH1A1SMN1; SMN2L3MBTL1
Bromide SCHEMBL1730058 0.89 F2R (0.88) F2RGAAALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062239-A1 THROMBIN RECEPTOR ANTAGONISTS AS PROPHYLAXIS TO COMPLICATIONS FROM CARDIOPULMONARY SURGERY SCHERING CORPORATION 2009-03-05 US disclosed
US-20080234236-A1 REDUCTION OF ADVERSE EVENTS AFTER PERCUTANEOUS INTERVENTION BY USE OF A THROMBIN RECEPTOR ANTAGONIST SCHERING CORPORATION 2008-09-25 US disclosed
US-20080194560-A1 DISINTEGRATION PROMOTERS IN SOLID DOSE WET GRANULATION FORMULATIONS SCHERING CORPORATION 2008-08-14 US disclosed
US-20080152712-A1 RAPIDLY DISINTEGRATING LYOPHILIZED ORAL FORMULATIONS OF A THROMBIN RECEPTOR ANTAGONIST SCHERING CORPORATION 2008-06-26 US disclosed
US-20080031943-A1 IMMEDIATE-RELEASE TABLET FORMULATIONS OF A THROMBIN RECEPTOR ANTAGONIST TOPROL ACQUISITION LLC 2008-02-07 US disclosed
US-20080026050-A1 SOLID DOSE FORMULATIONS OF A THROMBIN RECEPTOR ANTAGONIST SCHERING CORPORATION 2008-01-31 US disclosed
US-20070238674-A1 TRA COMBINATION THERAPIES SCHERING CORPORATION 2007-10-11 US disclosed
US-20070202140-A1 THROMBIN RECEPTOR ANTAGONISTS AS PROPHYLAXIS TO COMPLICATIONS FROM CARDIOPULMONARY SURGERY SCHERING CORPORATION 2007-08-30 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 (8 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-20080194560-A1 DISINTEGRATION PROMOTERS IN SOLID DOSE WET GRANULATION FORMULATIONS SP1, TMPRSS2, GPR39 F2R 11/4885GAA 2183/4885ALDH1A1 4610/4885
US-20080234236-A1 REDUCTION OF ADVERSE EVENTS AFTER PERCUTANEOUS INTERVENTION BY USE OF A THROMBIN RECEPTOR ANTAGONIST PTAFR, F2R, F2RL3 F2R 2/4885GAA 2731/4885ALDH1A1 4030/4885
US-20080152712-A1 RAPIDLY DISINTEGRATING LYOPHILIZED ORAL FORMULATIONS OF A THROMBIN RECEPTOR ANTAGONIST F2R, F2RL1, PLAT F2R 1/4885GAA 1711/4885ALDH1A1 4549/4885
US-20080026050-A1 SOLID DOSE FORMULATIONS OF A THROMBIN RECEPTOR ANTAGONIST F2R, F2RL1, TBXA2R F2R 1/4885GAA 4441/4885ALDH1A1 3702/4885
US-20090062239-A1 THROMBIN RECEPTOR ANTAGONISTS AS PROPHYLAXIS TO COMPLICATIONS FROM CARDIOPULMONARY SURGERY F2R, CPB2, TFPI F2R 1/4885GAA 2937/4885ALDH1A1 2106/4885
US-20080031943-A1 IMMEDIATE-RELEASE TABLET FORMULATIONS OF A THROMBIN RECEPTOR ANTAGONIST F2R, F2RL1, TBXA2R F2R 1/4885GAA 2313/4885ALDH1A1 4276/4885
US-20070202140-A1 THROMBIN RECEPTOR ANTAGONISTS AS PROPHYLAXIS TO COMPLICATIONS FROM CARDIOPULMONARY SURGERY F2R, CPB2, TFPI F2R 1/4885GAA 2937/4885ALDH1A1 2106/4885
US-20070238674-A1 TRA COMBINATION THERAPIES EDNRA, EDNRB, TBXA2R F2R 9/4885GAA 2281/4885ALDH1A1 4121/4885

“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.