SCHEMBL435735

SCHEMBL435735

CC(CCC(F)(F)F)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
ADRB2 P07550 1/20 0.43
C3AR1 Q16581 1/20 0.42
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
KCNH2 Q12809 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
AOC3 Q16853 1/20 0.34
UTS2R Q9UKP6 2/20 0.34
P2RX3 P56373 1/20 0.33
BRD4 O60885 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
SCHEMBL6222745 0.79 ADRB2 (0.52) RIPK1ADRB2C3AR1TSHRMAPK1
SCHEMBL18676262 0.79 RIPK1 (0.70) RIPK1AOC3
SCHEMBL24616595 0.79 ADRB2 (0.50) RIPK1ADRB2C3AR1TSHRMAPK1
SCHEMBL10274563 0.77 ADRB2 (0.48) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL12908530 0.76 ADRB2 (0.43) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL436301 0.76 UTS2R (0.40) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL1960590 0.75 ADRB2 (0.46) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL12288185 0.75 ADRB2 (0.46) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL20169678 0.75 ADRB2 (0.46) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL1046241 0.75 ADRB2 (0.46) RIPK1ADRB2C3AR1TSHRMAPK1

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-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 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 (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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH RIPK1 4161/4885ADRB2 103/4885C3AR1 124/4885

“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.