SCHEMBL16233128

SCHEMBL16233128

CC(C)(C)CCN1CCCN2CCCN=C21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.31
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
USP2 O75604 1/20 0.31
INMT O95050 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL16234595 0.84 CYP1A2 (0.31) CYP2D6
SCHEMBL16233129 0.83 HRH4 (0.33) HRH4HRH2HRH3
SCHEMBL16233118 0.81
SCHEMBL251940 0.81 CYP2D6 (0.42) USP2INMTCYP3A4CYP2D6CYP2C19
SCHEMBL23075888 0.80 USP2 (0.35) USP2INMTCYP3A4CYP2D6CYP2C19
SCHEMBL22106057 0.80 USP2 (0.35) USP2INMTCYP3A4CYP2D6CYP2C19
SCHEMBL16233143 0.80
SCHEMBL22106056 0.79 ALDH1A1 (0.36) USP2INMTCYP3A4CYP2D6CYP2C19
SCHEMBL22106055 0.79 ALDH1A1 (0.36) USP2INMTCYP3A4CYP2D6CYP2C19
SCHEMBL16233137 0.78

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-20170107241-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS NOVOMER, INC. (US) 2017-04-20 US disclosed
US-9403861-B2 Salen complexes with dianionic counterions NOVOMER, INC. (US) 2016-08-02 US disclosed
US-20140336354-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2014-11-13 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 (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-20170107241-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS NCLN, POLN, NCL HRH4 4279/4885HRH2 4661/4885HRH3 3502/4885
US-20140336354-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS NCLN, POLN, NCL HRH4 4279/4885HRH2 4661/4885HRH3 3502/4885

“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.