SCHEMBL11220405

SCHEMBL11220405

C=CCC1CNCCN1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
SYK P43405 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL19943677 0.81 SYK (0.31) SYKAURKB
SCHEMBL1526113 0.79
SCHEMBL7366636 0.78 SLC6A2 (0.30)
SCHEMBL28329390 0.78 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2200907 0.77 SLC6A2 (0.33) SYKAURKB
SCHEMBL6264691 0.77
SCHEMBL861271 0.77
SCHEMBL175416 0.77 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27979639 0.77
Ammonia Solution, Strong SCHEMBL11786318 0.77 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981878-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2021-04-20 US disclosed
US-10975038-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2021-04-13 US disclosed
US-10919860-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2021-02-16 US disclosed
US-10913723-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2021-02-09 US disclosed
US-20180370920-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2018-12-27 US disclosed
US-10150738-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2018-12-11 US disclosed
US-20180072681-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2018-03-15 US disclosed
US-9828347-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2017-11-28 US disclosed
US-20170247333-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2017-08-31 US disclosed
US-20160102061-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2016-04-14 US disclosed
US-4353826-A ANTITUBERCULAR ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1982-10-12 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 (9 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-20160102061-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES NUDC, NBAS, NDC1 CHRNB2 1467/4885CHRNB4 1545/4885CHRNA3 1092/4885
US-20170247333-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES NUDC, NBAS, NDC1 CHRNB2 1467/4885CHRNB4 1545/4885CHRNA3 1092/4885
US-10975038-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes NUDC, NBAS, NDC1 CHRNB2 1467/4885CHRNB4 1545/4885CHRNA3 1092/4885
US-20180370920-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES NPM1, NOX3, NUDC CHRNB2 1193/4885CHRNB4 1199/4885CHRNA3 307/4885
US-10981878-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes NUDC, NBAS, NDC1 CHRNB2 1467/4885CHRNB4 1545/4885CHRNA3 1092/4885
US-10919860-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes NUDC, NBAS, NDC1 CHRNB2 1467/4885CHRNB4 1545/4885CHRNA3 1092/4885
US-20180072681-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES NUDC, NBAS, NDC1 CHRNB2 1467/4885CHRNB4 1545/4885CHRNA3 1092/4885
US-10913723-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes NUDC, NBAS, NDC1 CHRNB2 1467/4885CHRNB4 1545/4885CHRNA3 1092/4885
US-10150738-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes NUDC, NBAS, NDC1 CHRNB2 1467/4885CHRNB4 1545/4885CHRNA3 1092/4885

“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.