SCHEMBL6865528

SCHEMBL6865528

CC(C)(C)OC(=O)NCCOc1cc(C#N)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
CNR2 P34972 1/20 0.47
IDO1 P14902 1/20 0.47
MRGPRX4 Q96LA9 4/20 0.45
CTSS P25774 3/20 0.43
PTGER1 P34995 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41

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
SCHEMBL22425686 0.84 IDO1 (0.49) BCHECNR2IDO1L3MBTL1MAPT
SCHEMBL6330920 0.83 MRGPRX4 (0.47) MRGPRX4CTSSPTGER1CTSLCTSB
SCHEMBL24080293 0.82 ALDH1A1 (0.48) BCHECNR2IDO1L3MBTL1MAPT
SCHEMBL22425685 0.82 ALDH1A1 (0.48) BCHECNR2IDO1L3MBTL1MAPT
SCHEMBL7778567 0.82 KDM4E (0.55) BCHECNR2IDO1L3MBTL1MAPT
SCHEMBL4684512 0.81 CA12 (0.47) IDO1CA12CA1CA2CA9
SCHEMBL30884502 0.80 KDM4E (0.55) KDM4EALDH1A1HPGD
SCHEMBL6873856 0.80 AAK1 (0.47) MRGPRX4CTSSPTGER1CTSLCTSB
SCHEMBL6554076 0.80 CA12 (0.46) BCHECNR2IDO1CA12CA1
SCHEMBL18569789 0.80 KDM4E (0.47) BCHECNR2IDO1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812231-B2 INHIBITING ACTIVATED BLOOD-COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-02 US disclosed
US-20020107290-A1 Benzamidine derivative AJINOMOTO CO., INC. (JP) 2002-08-08 US disclosed
US-6410538-B2 ANTICOAGULANT OR AN AGENT FOR TREATING OR PREVENTING THROMBI OR EMBOLI AJINOMOTO CO., INC. (JP) 2002-06-25 US disclosed
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli AJINOMOTO CO., INC (JP) 2001-12-27 US disclosed
EP-1086946-A1 BENZAMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2001-03-28 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 (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-20020107290-A1 Benzamidine derivative SERPINE1, SERPINC1, TFPI BCHE 112/4885CNR2 4356/4885IDO1 2596/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 BCHE 192/4885CNR2 3644/4885IDO1 3406/4885

“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.