SCHEMBL22326400

SCHEMBL22326400

CCCCCCCC[C@H]1CCCN(CC)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.51
CYP1A2 P05177 1/20 0.44
BCHE P06276 7/20 0.42
GNAO1 P09471 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
BACE1 P56817 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
EPHX1 P07099 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAI1 P63096 1/20 0.36

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
SCHEMBL12561561 0.93 CYP1A2 (0.52) LSSCYP1A2BCHEBACE1
Hydrochloric Acid SCHEMBL30330784 0.91 CYP1A2 (0.50) LSSCYP1A2BCHEGNAO1BACE1
SCHEMBL28290737 0.88 BCHE (0.55) LSSBCHEGNAO1BACE1GNAI3
SCHEMBL12558281 0.87 LSS (0.44) LSSCYP1A2GNAO1MEN1HTT
SCHEMBL25653931 0.86 BCHE (0.53) LSSCYP1A2BCHEGNAO1BACE1
SCHEMBL10646171 0.86 LSS (0.48) LSSCYP1A2BCHE
SCHEMBL14400435 0.85 HSD11B1 (0.38) LSSCYP1A2
SCHEMBL29265396 0.83 LSS (0.47) LSSCYP1A2BCHEGNAO1MEN1
Hydrochloric Acid SCHEMBL30212673 0.83 HSD11B1 (0.37) CYP1A2
Fluoride SCHEMBL30330649 0.83 HSD11B1 (0.37) LSSCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2020-08-11 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 (1 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-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR LSS 1851/4885CYP1A2 10/4885BCHE 1486/4885

“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.