SCHEMBL5458802

SCHEMBL5458802

O=C(Nc1ccc(F)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
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
GLA P06280 1/20 0.54
POLB P06746 3/20 0.53
ALDH1A1 P00352 2/20 0.53
NAMPT P43490 3/20 0.52
MAPT P10636 4/20 0.52
PANK3 Q9H999 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 1/20 0.48
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46

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
SCHEMBL5451342 0.90 CA12 (0.56) CA12CA1CA2CA9POLB
SCHEMBL5464346 0.90 FAAH (0.55) CA12CA1CA2CA9GLA
SCHEMBL5459210 0.87 MAPT (0.57) CA12CA1CA2CA9NAMPT
SCHEMBL5466133 0.87 MAPT (0.57) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL4772344 0.83 MAPT (0.58) CA12CA1CA2CA9GLA
SCHEMBL5461554 0.83 POLB (0.60) CA12CA1CA2CA9POLB
SCHEMBL4765645 0.82 NPC1 (0.53) NAMPTMAPTNPC1RAB9AKMT2A
SCHEMBL10247726 0.81 HRH3 (0.62) NAMPTHRH3HRH1
SCHEMBL4765155 0.81 PANK3 (0.54) POLBNAMPTMAPTPANK3KMT2A
SCHEMBL4771050 0.80 CYP3A4 (0.56) NAMPTMAPTNPC1RAB9ASMN1; SMN2

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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US claimed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1730114-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 EP disclosed
WO-2005087746-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-22 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 (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 1723/4885CA1 1515/4885CA2 1026/4885

“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.