SCHEMBL19103231

SCHEMBL19103231

CCCN(C)CCN(C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
SIGMAR1 Q99720 1/20 0.31
CA1 P00915 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
SCHEMBL24424824 0.89 CA12 (0.44) CA12CA2CA3CA4CA6
SCHEMBL10086102 0.85 S1PR2 (0.35) CA12CA2CA3CA4CA6
SCHEMBL1043900 0.83
SCHEMBL24424952 0.81 CA12 (0.61) CA12CA2CA3CA4CA6
SCHEMBL173215 0.81 CA12 (0.32) CA12CA2CA3CA4CA6
SCHEMBL24515159 0.80 KDM4E (0.37) CA12CA2CA3CA4CA6
SCHEMBL27418875 0.80 CYP2C9 (0.31)
SCHEMBL8909834 0.80 MEN1 (0.35)
SCHEMBL5715864 0.80 CA12 (0.53) CA12CA2CA3CA4CA6
SCHEMBL29580954 0.80 CA12 (0.53) CA12CA2CA3CA4CA6

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-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-25 US disclosed
WO-2018227012-A9 POLYMER-LIPID MATERIALS FOR DELIVERY OF NUCLEIC ACIDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-11-14 WO disclosed
US-9796712-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-07 US disclosed
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-07-13 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-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF PTH1R, CALCR, VDR CA12 1065/4885CA2 369/4885CA3 1324/4885
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 CA12 4592/4885CA2 3504/4885CA3 4815/4885
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 CA12 4592/4885CA2 3504/4885CA3 4815/4885

“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.