SCHEMBL19003492

SCHEMBL19003492

CCCC(CCC)c1ccc(F)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.41
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
DHFR P00374 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL20376381 0.93 APLNR (0.38) APLNRESR1ESR2CYP11B1CYP11B2
SCHEMBL18948514 0.93 ESR1 (0.41) APLNRESR1ESR2CYP11B1CYP11B2
SCHEMBL22166120 0.90 APLNR (0.36) APLNRESR1ESR2CYP11B1CYP11B2
SCHEMBL19853068 0.89 APLNR (0.40) APLNRESR1ESR2CYP11B1CYP11B2
SCHEMBL23871060 0.86 APLNR (0.38) APLNRESR1ESR2HRH1KCNH2
SCHEMBL18596818 0.86 APLNR (0.38) APLNRESR1ESR2HRH1KCNH2
SCHEMBL18948485 0.86 APLNR (0.38) APLNRESR1ESR2HRH1KCNH2
SCHEMBL18672471 0.84 APLNR (0.37) APLNRESR1ESR2
SCHEMBL25898707 0.84 APLNR (0.37) APLNRESR1ESR2
SCHEMBL19523028 0.84 ESR1 (0.46) APLNRESR1ESR2HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 US disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 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 (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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 APLNR 664/4885ESR1 4747/4885ESR2 1949/4885

“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.