SCHEMBL3635959

SCHEMBL3635959

CCCCc1ccc(F)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.47
ALOX15 P16050 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MPO P05164 5/20 0.40
CTRC Q99895 1/20 0.36
GHSR Q92847 1/20 0.35
P2RX7 Q99572 2/20 0.35
METAP2 P50579 1/20 0.35

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 0.88 LMNA (0.37) TYRMAPTHTTMPOP2RX7
SCHEMBL3637969 0.81 CA2 (0.46) TYRMEN1MAPTKMT2AMPO
SCHEMBL30817945 0.81 CA2 (0.46) TYRMEN1MAPTKMT2AMPO
SCHEMBL20220477 0.80 SLC6A4 (0.36) P2RX7
SCHEMBL13349755 0.80 TYR (0.50) TYRALOX15MEN1TP53CYP3A4
SCHEMBL31108182 0.80 TYR (0.46) TYRALOX15MEN1TP53CYP3A4
SCHEMBL3711398 0.79 PKM (0.42) ALOX15MEN1TP53MAPTHTT
SCHEMBL30005666 0.79 PKM (0.42) ALOX15MEN1TP53MAPTHTT
SCHEMBL22176382 0.78 TYR (0.48) TYRALOX15MEN1TP53CYP3A4
SCHEMBL27973320 0.78 PKM (0.37) MEN1MAPTKMT2AP2RX7

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 5 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
EP-2155734-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008144223-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 WO 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-20170001987-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 TYR 1294/4885ALOX15 4570/4885MEN1 194/4885
US-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 TYR 1294/4885ALOX15 4570/4885MEN1 194/4885

“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.