SCHEMBL22326391

SCHEMBL22326391

CCCCCCC1CCCN(C)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.54
CYP1A2 P05177 1/20 0.47
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 2/20 0.41
BCHE P06276 5/20 0.41
GNAO1 P09471 4/20 0.41
GNAI3 P08754 3/20 0.41
GNAI1 P63096 3/20 0.41
S1PR4 O95977 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL14048611 1.00 LSS (0.54) LSSCYP1A2S1PR1S1PR3S1PR5
Iodide SCHEMBL23004271 0.98 LSS (0.53) LSSCYP1A2S1PR1S1PR3S1PR5
Bromide SCHEMBL23004523 0.98 LSS (0.53) LSSCYP1A2S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL23004257 0.98 LSS (0.53) LSSCYP1A2S1PR1S1PR3S1PR5
SCHEMBL19454711 0.98 LSS (0.51) LSSCYP1A2S1PR1S1PR3S1PR5
SCHEMBL24948221 0.94 CYP1A2 (0.50) LSSCYP1A2S1PR1S1PR3S1PR5
SCHEMBL8507191 0.92 CYP1A2 (0.56) LSSCYP1A2BCHEGNAO1GNAI3
SCHEMBL19674057 0.90 CYP1A2 (0.54) LSSCYP1A2S1PR1S1PR3S1PR5
Fluoride SCHEMBL30330840 0.90 CYP1A2 (0.54) LSSCYP1A2BCHEGNAO1GNAI3
Thiocyanic Acid SCHEMBL23004325 0.90 LSS (0.47) LSSCYP1A2S1PR1S1PR3S1PR5

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 10/4885S1PR1 1009/4885

“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.