SCHEMBL5899197

SCHEMBL5899197

COc1ccccc1C1CCN(Cc2ccc(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.62
DRD4 P21917 1/20 0.51
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 1/20 0.50
CCR5 P51681 1/20 0.50
ATM Q13315 1/20 0.49
OPRM1 P35372 1/20 0.47
TP53 P04637 3/20 0.46
THRB P10828 1/20 0.44
CHRM4 P08173 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5814935 0.94 MAPK1 (0.62) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL5818308 0.87 MEN1 (0.53) MAPK1MEN1KMT2AMAPTCCR5
SCHEMBL5823977 0.82 MEN1 (0.53) MAPK1DRD4MEN1KMT2AMAPT
SCHEMBL5805864 0.78 MEN1 (0.44) MEN1KMT2AMAPTATMTP53
SCHEMBL5807466 0.77 MAPK1 (0.62) MAPK1DRD4MEN1KMT2AMAPT
SCHEMBL5813989 0.77 ALDH1A1 (0.50) MAPK1DRD4MEN1KMT2AMAPT
SCHEMBL5899204 0.76 DRD4 (0.57) DRD4MAPTALDH1A1TP53THRB
SCHEMBL5899201 0.74 MEN1 (0.63) MAPK1DRD4MEN1KMT2ACCR5
SCHEMBL5899226 0.71 HTR1A (0.79)
SCHEMBL5814914 0.70 HTR1A (0.75) MEN1KMT2A

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 MAPK1 524/4885DRD4 367/4885MEN1 462/4885

“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.