SCHEMBL436301

SCHEMBL436301

CNC(CCC(F)(F)F)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 11/20 0.40
PRLHR P49683 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADRB2 P07550 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
FFAR2 O15552 1/20 0.34
SLC6A2 P23975 1/20 0.34
KCNH2 Q12809 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL14046921 0.81 ALDH1A1 (0.45) LMNATP53HPGDTSHRMAPK1
SCHEMBL25487567 0.79 SLC6A4 (0.40) UTS2RTSHRMAPK1HIF1ATDP1
SCHEMBL135747 0.78 SLC6A4 (0.43) UTS2RLMNATSHRADRB2SLC6A4
SCHEMBL435735 0.76 RIPK1 (0.46) UTS2RLMNATP53HPGDTSHR
SCHEMBL5320420 0.75 UTS2R (0.42) UTS2RSLC6A4SLC6A3FFAR2SLC6A2
SCHEMBL6278630 0.75 ATP1A1 (0.42) LMNATP53HPGDTSHRMAPK1
SCHEMBL28338266 0.75 GAA (0.45) UTS2RLMNATP53HPGDTSHR
SCHEMBL20993300 0.74 SLC6A4 (0.41) UTS2RLMNATP53HPGDTSHR
SCHEMBL4538533 0.73 SLC6A4 (0.42) UTS2RTSHRMAPK1HIF1ATDP1
SCHEMBL6032980 0.73 ADRB2 (0.40) UTS2RLMNATP53HPGDTSHR

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 UTS2R 1340/4885PRLHR 343/4885LMNA 2513/4885

“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.