SCHEMBL5451342

SCHEMBL5451342

O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc3c(c2)CCN(C2CCC2)CC3)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
MAPT P10636 4/20 0.52
TP53 P04637 2/20 0.49
POLB P06746 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
CCR2 P41597 1/20 0.48
KCNH2 Q12809 1/20 0.48
CA1 P00915 1/20 0.48
STS P08842 1/20 0.48
NAMPT P43490 1/20 0.48
PANK3 Q9H999 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL5458802 0.90 CA12 (0.56) CA12CA2CA9SMN1; SMN2MAPT
SCHEMBL5464346 0.90 FAAH (0.55) CA12CA2CA9SMN1; SMN2LMNA
SCHEMBL5459210 0.87 MAPT (0.57) CA12CA2CA9SMN1; SMN2LMNA
SCHEMBL5466133 0.87 MAPT (0.57) SMN1; SMN2MAPTTP53POLBHRH3
SCHEMBL4772344 0.83 MAPT (0.58) CA12CA2CA9SMN1; SMN2LMNA
SCHEMBL5472454 0.82 HRH3 (0.64) LMNAKDM4EHRH3KMT2AHTR1A
SCHEMBL4765155 0.81 PANK3 (0.54) MAPTPOLBHRH3CCR2NAMPT
SCHEMBL5461554 0.81 POLB (0.60) CA12CA2CA9SMN1; SMN2LMNA
SCHEMBL4771050 0.80 CYP3A4 (0.56) SMN1; SMN2MAPTTP53HRH3NAMPT
SCHEMBL5458309 0.80 ME2 (0.56) KDM4EPOLBHRH3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US claimed

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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B CA12 1723/4885CA2 1026/4885CA9 2800/4885

“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.