SCHEMBL5899211

SCHEMBL5899211

O=C(c1ccc(CCl)cc1)N1CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
PDE4B Q07343 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
STING1 Q86WV6 1/20 0.42

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
SCHEMBL5899204 0.91 DRD4 (0.57) DRD2DRD4MAPTNPC1LMNA
SCHEMBL8614711 0.84 ALDH1A1 (0.61) DRD2MAPTNPC1LMNAHTT
SCHEMBL21712168 0.80 DRD2 (0.64) DRD2DRD4MAPTNPC1LMNA
SCHEMBL30912017 0.80 DRD2 (0.64) DRD2DRD4MAPTNPC1LMNA
SCHEMBL5899203 0.79 DRD4 (0.52) DRD4MAPTNPC1LMNAHTT
SCHEMBL27872558 0.78 DRD2 (0.57) DRD2DRD4MAPTNPC1LMNA
SCHEMBL6966940 0.78 DRD2 (0.61) DRD2DRD4MAPTNPC1LMNA
SCHEMBL5803986 0.77 HPGD (0.70) NPC1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3735431 0.77 DRD2 (0.56) DRD2DRD4MAPTNPC1LMNA
SCHEMBL981641 0.76 NOTUM (0.60) DRD2MAPTNPC1LMNAHTT

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-20060183902-A1 Dihydroindolyl methanones as alpha 1a/1d adrenoreceptor modulators for the treatment of benign prostatic hypertrophy and lower urinary tract symptoms JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-17 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-20060183902-A1 Dihydroindolyl methanones as alpha 1a/1d adrenoreceptor modulators for the treatment of benign prostatic hypertrophy and lower urinary tract symptoms ADRA1D, ADRA1A, ADRB1 DRD2 301/4885DRD4 367/4885MAPT 1017/4885

“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.