SCHEMBL6870504

SCHEMBL6870504

CCOC(=O)CCc1ccc(C#N)cc1OCCCN

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
USP14 P54578 2/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
CNR2 P34972 1/20 0.37
DPP4 P27487 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
DHFR P00374 2/20 0.37
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
HRH3 Q9Y5N1 1/20 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
Hydrochloric Acid SCHEMBL6870704 0.99 CYP1A2 (0.40) CYP1A2CYP4F2CYP4A11USP14FFAR1
Hydrochloric Acid SCHEMBL6873181 0.93 CYP4F2 (0.40) CYP1A2CYP4F2CYP4A11USP14FFAR1
SCHEMBL6872341 0.79 CA12 (0.41) FFAR1FFAR4
SCHEMBL11116312 0.77 CYP4F2 (0.47) CYP4F2CYP4A11USP14FFAR1FFAR4
SCHEMBL6872097 0.77 CHRNB4 (0.43) USP14
SCHEMBL6872102 0.77 CHRNB4 (0.43) USP14
SCHEMBL2774427 0.76 PDE4A (0.41) CYP1A2FFAR1FFAR4PDCD1CD274
Hydrochloric Acid SCHEMBL6871744 0.76 CHRNB4 (0.43) USP14
Hydrochloric Acid SCHEMBL6871747 0.76 CHRNB4 (0.43) USP14
Hydrochloric Acid SCHEMBL11569106 0.76 GLA (0.52) CYP1A2CYP4F2CYP4A11CNR2DHFR

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 6 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
CN-1311771-A Benzamidine derivative AJINOMOTO KK (JP) 2001-09-05 CN 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 CYP1A2 776/4885CYP4F2 473/4885CYP4A11 2358/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 CYP1A2 881/4885CYP4F2 773/4885CYP4A11 2670/4885

“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.