SCHEMBL13064232

SCHEMBL13064232

CCCc1cc(F)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 3/20 0.40
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
HIF1A Q16665 1/20 0.37
HMGCR P04035 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
KCNH2 Q12809 1/20 0.36
F2R P25116 2/20 0.35
MPO P05164 4/20 0.35
HTR2A P28223 1/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 1/20 0.34
GHSR Q92847 1/20 0.33
NR3C1 P04150 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
SCHEMBL17979961 0.83 LMNA (0.37) F2RL1LMNAMAPTXBP1HIF1A
SCHEMBL322033 0.83 GABRA1 (0.39) LMNAMAPTKCNH2F2RHTR2A
SCHEMBL19602322 0.81 DPP4 (0.35) MAPTMPOHTR2ADPP4NR3C1
SCHEMBL4965370 0.79 DPP4 (0.34) MAPTHTR2ADPP4NR3C1
SCHEMBL30360615 0.79 PKM (0.36) MAPTMPOHTR2ADPP4NR3C1
SCHEMBL485871 0.79 PKM (0.36) MAPTMPOHTR2ADPP4NR3C1
SCHEMBL535214 0.79 TAAR1 (0.52) MAPTMPOHTR2ADPP4
SCHEMBL30814757 0.79 TAAR1 (0.52) MAPTMPOHTR2ADPP4
SCHEMBL17979919 0.79 PKM (0.36) MAPTF2RHTR2ADPP4NR3C1
SCHEMBL18908301 0.79 DPP4 (0.34) MAPTHTR2ADPP4NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-04-05 US disclosed
US-9856238-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2018-01-02 US disclosed
US-20170001987-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUMITOMO PHARMA AMERICA, INC. 2017-01-05 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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-20170001987-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 F2RL1 3002/4885LMNA 2733/4885MAPT 316/4885
US-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 F2RL1 3002/4885LMNA 2733/4885MAPT 316/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 F2RL1 4294/4885LMNA 1536/4885MAPT 2103/4885

“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.