SCHEMBL803404

SCHEMBL803404

CC(C)(C)CC1CCC(Cc2ncccn2)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.34
RIPK1 Q13546 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MAP4K4 O95819 2/20 0.32
GPR39 O43194 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
OPRL1 P41146 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
SCHEMBL1220398 0.85 MAP4K4 (0.37) PDE2ADRD2DRD3MAP4K4GPR39
SCHEMBL803465 0.79 GABRA1 (0.41) GPR39
SCHEMBL3209605 0.77 RAB9A (0.41) MAP4K4
SCHEMBL24011306 0.76 MAP4K4 (0.36) MAP4K4JAK2JAK1JAK3
SCHEMBL3197095 0.75 RAB9A (0.44) MAP4K4
SCHEMBL803668 0.75 CHRM4 (0.40) DRD2DRD3
SCHEMBL13162857 0.73 HRH3 (0.47) MAP4K4
SCHEMBL5688150 0.72 GBA1 (0.52) JAK2JAK1
SCHEMBL1693802 0.72 MAPK1 (0.46) MAP4K4OPRL1
SCHEMBL803096 0.72 CYP19A1 (0.49)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 PDE2A 611/4885RIPK1 4084/4885THRA 652/4885

“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.