SCHEMBL449978

SCHEMBL449978

[CH2]CCCOC1CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.53
GPR84 Q9NQS5 2/20 0.51
PDPK1 O15530 1/20 0.38
HTR1A P08908 1/20 0.38
BRD4 O60885 4/20 0.37
RET P07949 1/20 0.36
HTR2A P28223 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL448580 0.95 IDO1 (0.51) IDO1GPR84PDPK1BRD4
SCHEMBL452347 0.94 IDO1 (0.50) IDO1GPR84PDPK1BRD4
SCHEMBL448693 0.90 IDO1 (0.56) IDO1GPR84PDPK1BRD4RET
SCHEMBL448659 0.83 IDO1 (0.59) IDO1GPR84PDPK1HTR1ABRD4
SCHEMBL9626216 0.83 IDO1 (0.51) IDO1GPR84PDPK1HTR1A
SCHEMBL19359157 0.80 IDO1 (0.56) IDO1GPR84PDPK1RETHTR2A
SCHEMBL19359221 0.80 IDO1 (0.56) IDO1GPR84PDPK1RETHTR2A
SCHEMBL30728437 0.80 GPR84 (0.57) IDO1GPR84PDPK1HTR1AHTR6
SCHEMBL7410008 0.80 IDO1 (0.61) IDO1GPR84PDPK1RETHTR2A
SCHEMBL7258599 0.79 IDO1 (0.63) IDO1GPR84PDPK1RETHTR2A

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
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
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 IDO1 646/4885GPR84 1196/4885PDPK1 3296/4885

“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.