SCHEMBL6872097

SCHEMBL6872097

CCOC(=O)CCc1ccc(C#N)cc1OC[C@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.43
CHRNA3 P32297 6/20 0.43
CHRNB2 P17787 4/20 0.43
CHRNA2 Q15822 3/20 0.43
CHRNA4 P43681 3/20 0.43
SLC6A4 P31645 1/20 0.40
USP14 P54578 1/20 0.39

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
SCHEMBL6872102 1.00 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA2CHRNA4
Hydrochloric Acid SCHEMBL6871747 0.99 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA2CHRNA4
Hydrochloric Acid SCHEMBL6871744 0.99 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA2CHRNA4
Hydrochloric Acid SCHEMBL6873181 0.77 CYP4F2 (0.40) SLC6A4USP14
SCHEMBL6870504 0.77 CYP1A2 (0.41) USP14
Hydrochloric Acid SCHEMBL6870704 0.76 CYP1A2 (0.40) USP14
SCHEMBL6871133 0.73 USP14 (0.36) SLC6A4USP14
SCHEMBL11116312 0.72 CYP4F2 (0.47) USP14
SCHEMBL6871136 0.71 F10 (0.40) USP14
SCHEMBL19706831 0.71 SMYD3 (0.43) USP14

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 CHRNB4 4702/4885CHRNA3 4718/4885CHRNB2 4771/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 CHRNB4 4741/4885CHRNA3 4535/4885CHRNB2 4766/4885

“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.