SCHEMBL19853068

SCHEMBL19853068

CCCCC(CCCC)c1ccc(F)cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.40
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KCNH2 Q12809 2/20 0.33
HRH1 P35367 1/20 0.33
DHFR P00374 1/20 0.33
HTR7 P34969 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PDF Q9HBH1 1/20 0.31
LMNA P02545 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 0.97 APLNR (0.38) APLNRESR1ESR2KCNH2HRH1
SCHEMBL18672471 0.95 APLNR (0.37) APLNRESR1ESR2
SCHEMBL25898707 0.95 APLNR (0.37) APLNRESR1ESR2
SCHEMBL23871060 0.93 APLNR (0.38) APLNRESR1ESR2KCNH2HRH1
SCHEMBL21755153 0.93 ESR1 (0.40) APLNRESR1ESR2KCNH2HRH1
SCHEMBL18596818 0.93 APLNR (0.38) APLNRESR1ESR2KCNH2HRH1
SCHEMBL18948485 0.93 APLNR (0.38) APLNRESR1ESR2KCNH2HRH1
SCHEMBL22166120 0.90 APLNR (0.36) APLNRESR1ESR2CYP11B1CYP11B2
SCHEMBL19003492 0.89 APLNR (0.41) APLNRESR1ESR2KCNH2HRH1
SCHEMBL18948514 0.82 ESR1 (0.41) APLNRESR1ESR2KCNH2HRH1

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-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 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 (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-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 APLNR 107/4885ESR1 1411/4885ESR2 632/4885
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 APLNR 107/4885ESR1 1411/4885ESR2 632/4885

“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.