SCHEMBL16709227

SCHEMBL16709227

Cc1nnc(CCl)n1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL21721628 0.70 GAA (0.32)
Hydrochloric Acid SCHEMBL4786279 0.68 ALDH1A1 (0.32) ALDH1A1LMNANPSR1L3MBTL1
SCHEMBL21721578 0.65 GAA (0.32)
SCHEMBL14663937 0.65 GAA (0.32)
SCHEMBL21720598 0.65 GAA (0.32)
SCHEMBL21721784 0.65 GAA (0.32)
SCHEMBL21720611 0.65 GAA (0.32)
SCHEMBL19184880 0.65 ALDH1A1 (0.31) ALDH1A1LMNANPSR1L3MBTL1
SCHEMBL21721629 0.62
SCHEMBL16211963 0.61 ALDH1A1 (0.51) FAAHALDH1A1LMNANPSR1L3MBTL1

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-9856259-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2018-01-02 US disclosed
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-9718847-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-08-01 US disclosed
US-20160075712-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2016-03-17 US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 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-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 FAAH 1062/4885ALDH1A1 300/4885LMNA 1294/4885
US-20160075712-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 FAAH 1254/4885ALDH1A1 245/4885LMNA 2162/4885
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 FAAH 1062/4885ALDH1A1 300/4885LMNA 1294/4885

“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.