SCHEMBL449670

SCHEMBL449670

[C]1=Nc2cnccc2CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CHRNA7 P36544 1/20 0.31

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
SCHEMBL224492 0.72 NOS3 (0.42)
SCHEMBL736652 0.68
SCHEMBL21308041 0.68 SIGMAR1 (0.38) SIGMAR1CHRNB2CHRNA4PDE3BPDE3A
SCHEMBL6293669 0.67
SCHEMBL221597 0.65 SIGMAR1 (0.54) SIGMAR1CHRNB2CHRNA4PDE3BPDE3A
SCHEMBL3632202 0.65 SIGMAR1 (0.54) SIGMAR1CHRNB2CHRNA4CHRNA7
SCHEMBL28172212 0.65 SIGMAR1 (0.43) SIGMAR1CHRNB2CHRNA4PDE3BPDE3A
SCHEMBL9209559 0.64 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4PDE3BPDE3A
SCHEMBL7019855 0.64 SIGMAR1 (0.57) SIGMAR1CHRNB2CHRNA4PDE3BPDE3A
SCHEMBL30544651 0.64

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-20230183233-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US disclosed
US-20230097157-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 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
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 (3 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-20230097157-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors KLKB1, F2, SERPINC1 SIGMAR1 4724/4885CHRNB2 4389/4885CHRNA4 4066/4885
US-20230183233-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors KLKB1, F2, SERPINC1 SIGMAR1 4724/4885CHRNB2 4389/4885CHRNA4 4066/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH SIGMAR1 330/4885CHRNB2 1571/4885CHRNA4 2080/4885

“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.