Sugi Predict

Sugi Predict / Compounds / SCHEMBL5456989

SCHEMBL5456989

SCHEMBL5456989

O=C(OCc1ccccc1)N1CC=C(c2ccc3c(c2)CCN(C2CCC2)CC3)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 12/20 0.61
▸ SIGMAR1 Q99720 12/20 0.61
▸ HRH3 Q9Y5N1 7/20 0.58
▸ HTR1A P08908 2/20 0.58
▸ HRH2 P25021 2/20 0.58
▸ HRH1 P35367 2/20 0.58
▸ CHRM4 P08173 1/20 0.58
▸ CHRM5 P08912 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ ADRA2B P18089 1/20 0.58
▸ ADRA1D P25100 1/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ HTR2C P28335 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ ADRA1B P35368 1/20 0.58
▸ DRD3 P35462 1/20 0.58
▸ HTR2B P41595 1/20 0.58
▸ HTR5A P47898 1/20 0.58
▸ CYP2D6 P10635 2/20 0.53
▸ ADRA2C P18825 1/20 0.52

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
SCHEMBL5671726 0.86 KDM4E (0.53) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL14441055 0.85 TMEM97 (0.48) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL11918380 0.84 HRH3 (0.49) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL5459521 0.84 LNPEP (0.48) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL4673023 0.83 TMEM97 (0.49) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL5455714 0.82 NAMPT (0.53) TMEM97SIGMAR1HRH3HRH2HRH1
SCHEMBL8315932 0.79 MEN1 (0.57) HRH3LNPEP
SCHEMBL5456834 0.79 TMEM97 (0.82) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL23783113 0.79 NAMPT (0.58) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL749352 0.78 GRM5 (0.54) LNPEP

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 TMEM97 486/4885SIGMAR1 129/4885HRH3 38/4885

“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.