SCHEMBL19984381

SCHEMBL19984381

BC1(B)CC(=O)CC(B)(B)N1C(=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
HSD11B1 P28845 1/20 0.37
HPGD P15428 1/20 0.37
ADRA1A P35348 1/20 0.37
MGLL Q99685 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
SCHEMBL19984130 0.79 HTR1A (0.37) HTR1ATAS1R3TAS1R1TAS1R2HSD11B1
SCHEMBL5630460 0.72 HPGD (0.54) HTR1AHSD11B1HPGDADRA1AMGLL
SCHEMBL2653348 0.70 HPGD (0.73) HTR1AHSD11B1HPGD
SCHEMBL2075037 0.70 HPGD (0.68) HTR1AHSD11B1HPGDMGLL
SCHEMBL19984390 0.68 HTR1A (0.32) HTR1AHSD11B1ADRA1AMGLL
SCHEMBL19984392 0.68 HTR1A (0.34) HTR1AADRA1A
SCHEMBL19984396 0.68 HTR1A (0.34) HTR1AADRA1A
SCHEMBL22406684 0.68 HPGD (0.55) HTR1AHSD11B1HPGDADRA1AMGLL
SCHEMBL9971990 0.68 HSP90AA1 (0.54) HTR1AHPGD
SCHEMBL3170407 0.68 CES2 (0.64) TAS1R3TAS1R1TAS1R2

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-20200290992-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds AUSPEX PHARMACEUTICALS, INC. 2020-09-17 US disclosed
US-10626105-B2 Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds AUSPEX PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
US-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds AUSPEX PHARMACEUTICALS, INC. 2018-03-22 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-20200290992-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds HTR2C, HTR5A, HTR1A HTR1A 3/4885TAS1R3 1867/4885TAS1R1 1768/4885
US-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds HTR2C, HTR5A, HTR1A HTR1A 3/4885TAS1R3 1867/4885TAS1R1 1768/4885
US-10626105-B2 Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds HTR2C, HTR5A, HTR1A HTR1A 3/4885TAS1R3 1867/4885TAS1R1 1768/4885

“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.