SCHEMBL5459704

SCHEMBL5459704

Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
RAB9A P51151 2/20 0.46
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
TSHR P16473 3/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
DRD3 P35462 2/20 0.43
HTR6 P50406 2/20 0.43
DRD2 P14416 1/20 0.43
CYP2D6 P10635 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL5459966 0.82 HRH3 (0.55) HRH3MAPK1HTTDRD3HTR6
SCHEMBL5457089 0.81 TSHR (0.57) HRH3TSHRMAPK1HTTDRD3
SCHEMBL5463839 0.81 HRH3 (0.60) HRH3DRD3HTR6DRD2CYP2D6
SCHEMBL5472280 0.81 HRH3 (0.59) HRH3MAPK1HTTDRD3HTR6
SCHEMBL5451040 0.80 HRH3 (0.49) HRH3DRD3HTR6DRD2CYP2D6
SCHEMBL5461526 0.80 HRH3 (0.55) HRH3DRD3HTR6DRD2MAPT
SCHEMBL5460678 0.79 MCOLN3 (0.54) HRH3TSHRMAPK1DRD3HTR6
SCHEMBL5453406 0.79 HRH3 (0.50) HRH3DRD3HTR6DRD2CYP2D6
SCHEMBL5462288 0.79 HRH3 (0.59) HRH3MAPK1HTTDRD3HTR6
SCHEMBL5458837 0.78 KMT2A (0.53) HRH3TSHRMAPK1HTTDRD3

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 HRH3 38/4885RAB9A 3597/4885TNF 4797/4885

“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.