SCHEMBL19257310

SCHEMBL19257310

CCC(C)(C)N(C)CCN(CCN(C)C)CCN(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 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
SCHEMBL19257311 0.82 DNM1 (0.31) CA12CA2CA3CA4CA6
SCHEMBL29581157 0.77 CA12 (0.38) CA12CA2CA3CA4CA6
SCHEMBL29581908 0.77 CA12 (0.38) CA12CA2CA3CA4CA6
SCHEMBL19248308 0.77 CA12 (0.38) CA12CA2CA3CA4CA6
SCHEMBL9288725 0.74 TSHR (0.32)
SCHEMBL82581 0.72 CA12 (0.57) CA12CA2CA3CA4CA6
SCHEMBL12794518 0.72 CA12 (0.57) CA12CA2CA3CA4CA6
SCHEMBL15444951 0.72 CA12 (0.57) CA12CA2CA3CA4CA6
SCHEMBL8854164 0.70 DNM1 (0.36) CA12CA9
SCHEMBL10607367 0.70 MAPT (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190203047-A1 Antithrombotic Compounds, Methods and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-04 US disclosed
US-10202507-B2 Antithrombotic compounds, methods and uses thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-02-12 US disclosed
US-20170233573-A1 Antithrombotic Compounds, Methods and Uses Thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-08-17 US 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 (3 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-20170233573-A1 Antithrombotic Compounds, Methods and Uses Thereof SELP, F2, FGB CA12 2783/4885CA2 2375/4885CA3 1348/4885
US-20190203047-A1 Antithrombotic Compounds, Methods and Uses Thereof SELP, F2, SERPINC1 CA12 2848/4885CA2 2607/4885CA3 1485/4885
US-10202507-B2 Antithrombotic compounds, methods and uses thereof SELP, F2, FGB CA12 2783/4885CA2 2375/4885CA3 1348/4885

“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.