SCHEMBL17346147

SCHEMBL17346147

CCCN(CCNCCSC)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
RORC P51449 5/20 0.43
BCHE P06276 5/20 0.42
ACKR3 P25106 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
REN P00797 1/20 0.39
CNR2 P34972 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL17346246 0.92 MAPT (0.45) BCHEACKR3SIGMAR1
SCHEMBL17346092 0.91 REN (0.43) RORCTSHRRENCNR2
SCHEMBL17346229 0.90 MAOB (0.43) BCHETSHRCNR2
SCHEMBL17346379 0.86 HRH3 (0.42) HRH3RORCBCHEACKR3TSHR
SCHEMBL17346100 0.81 DRD2 (0.46) HRH3RORCBCHEACKR3SIGMAR1
SCHEMBL17346303 0.80 CARM1 (0.50) ACKR3TSHRRENSIGMAR1
SCHEMBL8781170 0.79 RORC (0.47) HRH3RORCTSHRRENCNR2
SCHEMBL17346144 0.79 ALDH1A1 (0.31)
SCHEMBL330083 0.79 HRH3 (0.68) HRH3RORCBCHETSHRHSD17B10
SCHEMBL17346371 0.78 ACKR3 (0.45) BCHEACKR3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis TRIAD NATIONAL SECURITY, LLC (US) 2020-02-04 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
WO-2015191505-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2015-12-17 WO 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-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS NANS, NCL, NCLN HRH3 1174/4885RORC 2681/4885BCHE 1165/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN HRH3 1174/4885RORC 2681/4885BCHE 1165/4885

“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.