SCHEMBL6873228

SCHEMBL6873228

CCOC(=O)CCc1ccc(C#N)cc1OCCNC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.45
CHRM4 P08173 8/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SMO Q99835 1/20 0.36
EPHX2 P34913 1/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TNF P01375 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL6873236 0.87 F10 (0.59) F10CHRM4CNR1CNR2MAPT
SCHEMBL6873243 0.85 F10 (0.44) F10CHRM4MAPK1MAPTKDM4E
Trifluoroacetic Acid SCHEMBL6873650 0.73 F10 (0.72) F10
SCHEMBL6872341 0.72 CA12 (0.41)
Trifluoroacetic Acid SCHEMBL6871112 0.72 F10 (0.66) F10CHRM4
SCHEMBL6871136 0.72 F10 (0.40) F10IRAK4
SCHEMBL6872177 0.70 F10 (0.48) F10CHRM4KDM4ELMNA
SCHEMBL6872175 0.70 F10 (0.48) F10CHRM4KDM4ELMNA
Trifluoroacetic Acid SCHEMBL6873052 0.70 F10 (0.80) F10
Trifluoroacetic Acid SCHEMBL6870829 0.69 F10 (0.68) F10

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 F10 21/4885CHRM4 4403/4885CNR1 3787/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 F10 16/4885CHRM4 4293/4885CNR1 2933/4885

“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.