SCHEMBL434656

SCHEMBL434656

CNC(c1ccc(Cl)cc1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.40
SLC6A2 P23975 8/20 0.40
CHRM1 P11229 2/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 1/20 0.39
SLC6A3 Q01959 8/20 0.38
FFAR2 O15552 1/20 0.37
DRD3 P35462 1/20 0.37
WDR91 A4D1P6 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL13043816 0.82 KCNA5 (0.37) TSHRTDP1
SCHEMBL29088759 0.80 POLB (0.39) SLC6A4SLC6A2SLC6A3
SCHEMBL10063384 0.79 IDO1 (0.44) GAATSHRMAPK1
SCHEMBL434632 0.76 PDE2A (0.46) FFAR2
SCHEMBL22244488 0.75 SLC6A4 (0.35) SLC6A4SLC6A2CHRM1GAAHPGD
SCHEMBL20681718 0.75 SLC6A4 (0.35) SLC6A4SLC6A2CHRM1GAAHPGD
SCHEMBL20474746 0.73 SLC6A4 (0.33) SLC6A4SLC6A2CHRM1GAAHPGD
SCHEMBL30802460 0.73 SLC6A4 (0.33) SLC6A4SLC6A2CHRM1GAAHPGD
SCHEMBL20474747 0.73 SLC6A4 (0.33) SLC6A4SLC6A2CHRM1GAAHPGD
SCHEMBL30069670 0.73 SLC6A4 (0.33) SLC6A4SLC6A2CHRM1GAAHPGD

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 6 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
EP-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP 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
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 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 (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 SLC6A4 469/4885SLC6A2 281/4885CHRM1 350/4885

“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.