SCHEMBL434378

SCHEMBL434378

C[C@H](Nc1nc2c(c(=O)n1N(C)C)CNCC2)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRLHR P49683 18/20 0.62
PDE1C Q14123 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL450268 1.00 PRLHR (0.62) PRLHRPDE1CSIGMAR1
SCHEMBL435585 0.87 PRLHR (0.60) PRLHR
SCHEMBL447682 0.87 PRLHR (0.60) PRLHR
SCHEMBL436071 0.84 PRLHR (0.62) PRLHR
SCHEMBL449501 0.81 PRLHR (0.65) PRLHRPDE1C
SCHEMBL13042640 0.80 SIGMAR1 (0.41) PRLHRSIGMAR1
SCHEMBL3716956 0.79 PRLHR (0.40) PRLHR
SCHEMBL433651 0.77 PRLHR (1.00) PRLHR
SCHEMBL450712 0.77 PRLHR (1.00) PRLHR
Hydrochloric Acid SCHEMBL450239 0.76 PRLHR (1.00) PRLHR

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
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

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 PRLHR 343/4885PDE1C 4248/4885SIGMAR1 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.