SCHEMBL16751985

SCHEMBL16751985

Cc1cc(C(N)=O)nc(C)c1Br

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
POLB P06746 2/20 0.38
GRM2 Q14416 10/20 0.37
SCD O00767 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NNMT P40261 1/20 0.33

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
Butyramide SCHEMBL27726766 0.87 GRM2 (0.36) LMNADPP4DPP8POLBGRM2
SCHEMBL24665086 0.82 RXFP1 (0.44) LMNARXFP1
SCHEMBL29977715 0.82 RXFP1 (0.44) LMNARXFP1
SCHEMBL11942291 0.80 LMNA (0.47) LMNADPP4DPP8POLBGRM2
SCHEMBL24666786 0.78 MAPT (0.44) LMNA
SCHEMBL29977755 0.78 MEN1 (0.32) LMNARXFP1
SCHEMBL24665083 0.78 MEN1 (0.32) LMNARXFP1
SCHEMBL31701361 0.78 MAPT (0.44) LMNA
SCHEMBL24665087 0.73 CLK1 (0.35)
SCHEMBL29977257 0.73 CLK1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472772-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2022-10-18 US disclosed
EP-3896068-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2021-10-20 EP disclosed
EP-3689864-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2020-08-05 EP disclosed
US-20200157052-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2020-05-21 US disclosed
EP-3086845-B1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2019-11-20 EP disclosed
EP-2878339-A1 SIP3 antagonists Siena Biotech S.p.A. (IT) 2015-06-03 EP 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-20200157052-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 LMNA 1938/4885DPP4 2077/4885DPP8 2547/4885
US-11472772-B2 S1P3 antagonists S1PR3, S1PR5, S1PR1 LMNA 1938/4885DPP4 2077/4885DPP8 2547/4885

“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.