SCHEMBL6899581

SCHEMBL6899581

C=CC(=N)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CHKA P35790 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
SIGMAR1 Q99720 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL13536913 0.78 CA2 (0.39) CA2CA12CA1CA9CHKA
SCHEMBL6897020 0.77
SCHEMBL21912690 0.73 CA2 (0.39) CA2CA12CA1CA9CHKA
SCHEMBL19245083 0.71 LMNA (0.43) CA2CA12CA1CA9
SCHEMBL277853 0.71 CA2 (0.48) CA2CA12CA1CA9CHKA
SCHEMBL24052084 0.71 CA2 (0.46) CA2CA12CA1CA9CHKA
SCHEMBL27400532 0.70 CA2 (0.37) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL17397450 0.70 CA2 (0.46) CA2CA12CA1CA9CHKA
SCHEMBL9696146 0.69
SCHEMBL25845844 0.68 CA2 (0.35) CA2CA12CA1CA9CHKA

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-6825191-B2 ANTICOAGULANT AJINOMOTO CO., INC. (JP) 2004-11-30 US claimed
US-20030186969-A1 Benzodiazepine derivatives AJINOMOTO CO. INC (JP) 2003-10-02 US claimed
EP-1329450-A1 BENZODIAZEPINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-07-23 EP claimed
US-6825191-B2 ANTICOAGULANT AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
US-20030186969-A1 Benzodiazepine derivatives AJINOMOTO CO. INC (JP) 2003-10-02 US disclosed
EP-1329450-A1 BENZODIAZEPINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-07-23 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 (1 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-20030186969-A1 Benzodiazepine derivatives GABRA1, F11, GABRA4 CA2 1161/4885CA12 2945/4885CA1 1270/4885

“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.