SCHEMBL449234

SCHEMBL449234

[C]1=CCc2ccncc2N1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
CHRNA7 P36544 1/20 0.30

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
SCHEMBL736650 0.78
SCHEMBL447750 0.71 NPC1 (0.34)
SCHEMBL3937251 0.71 CHRNB2 (0.38) CHRNB2CHRNA4SIGMAR1CHRNA7
SCHEMBL14363747 0.71 CHRNB2 (0.38) CHRNB2CHRNA4SIGMAR1CHRNA7
SCHEMBL3937255 0.71 CHRNB2 (0.38) CHRNB2CHRNA4SIGMAR1CHRNA7
SCHEMBL4558283 0.69 CHRNB2 (0.41) CHRNB2CHRNA4SIGMAR1CHRNA7
SCHEMBL3427218 0.63 PLAU (0.57) CHRNB2CHRNA4SIGMAR1CHRNA7
SCHEMBL21308041 0.63 SIGMAR1 (0.38) CHRNB2CHRNA4SIGMAR1
SCHEMBL2120615 0.63 CHRNB2 (0.42) CHRNB2CHRNA4SIGMAR1CHRNA7
SCHEMBL2432002 0.63

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 CHRNB2 1571/4885CHRNA4 2080/4885SIGMAR1 330/4885

“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.