SCHEMBL10326528

SCHEMBL10326528

Cc1cccc(OC[C@H]2CCCN2)c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.70
CHRNA3 P32297 2/20 0.70
LTA4H P09960 3/20 0.56

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
SCHEMBL10326784 1.00 CHRNB4 (0.70) CHRNB4CHRNA3LTA4H
SCHEMBL10326293 1.00 CHRNB4 (0.70) CHRNB4CHRNA3LTA4H
SCHEMBL11455927 0.86 CHRNB4 (0.52) CHRNB4CHRNA3
SCHEMBL10326841 0.84 CHRNA3 (0.56) CHRNB4CHRNA3LTA4H
SCHEMBL10326825 0.84 CHRNA3 (0.56) CHRNB4CHRNA3LTA4H
SCHEMBL10326519 0.84 CHRNA3 (0.56) CHRNB4CHRNA3LTA4H
SCHEMBL18617333 0.83 CHRNB4 (0.67) CHRNB4CHRNA3LTA4H
SCHEMBL28601084 0.83 SLC6A2 (0.78)
SCHEMBL28601081 0.83 SLC6A2 (0.78)
SCHEMBL9241941 0.82 CHRNB4 (0.70) CHRNB4CHRNA3LTA4H

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-9822115-B2 Nitrogen containing compounds and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-11-21 US disclosed
US-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2016-12-08 US disclosed
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 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 (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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 CHRNB4 1762/4885CHRNA3 1704/4885LTA4H 2091/4885
US-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NOS2, NOS1, NCF1 CHRNB4 4785/4885CHRNA3 4842/4885LTA4H 1513/4885

“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.