SCHEMBL2079889

SCHEMBL2079889

CCN1CCc2cc(N)cnc2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
KCNH2 Q12809 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 4/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
RAD52 P43351 3/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
GFER P55789 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD1 P21728 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
DHFR P00374 1/20 0.35
ACKR3 P25106 1/20 0.34

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
SCHEMBL7998560 0.90 RAD52 (0.45) DRD2KCNH2CYP3A4TSHRHSD17B10
SCHEMBL29730794 0.88 LMNA (0.43) DRD2KCNH2LMNAMAPTHSP90AB1
SCHEMBL19082533 0.80 ATAD2 (0.33) DRD2KCNH2LMNARAD52RECQL
SCHEMBL13970864 0.80 GRIN2D (0.34) DHFR
SCHEMBL27966943 0.77 L3MBTL1 (0.36) CYP3A4LMNAMAPTDHFR
SCHEMBL26640563 0.74 POLB (0.38) LMNAMAPTHSP90AB1DHFR
SCHEMBL26640900 0.74 DRD2 (0.42) DRD2LMNADHFR
SCHEMBL29520297 0.73 CYP2C19 (0.44) LMNAMAPTGAAKDM4E
SCHEMBL3440773 0.73 MAOA (0.40) DRD2DRD1
SCHEMBL7362137 0.73 NOS3 (0.56) DRD2KCNH2CYP3A4TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007140213-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 WO claimed
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 US claimed
US-7897595-B2 Pyridoazepine derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-01 US disclosed
WO-2007140213-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 WO disclosed
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 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-20070281918-A1 PYRIDOAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A DRD2 101/4885KCNH2 236/4885CYP3A4 439/4885

“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.