SCHEMBL5899201

SCHEMBL5899201

COc1ccccc1C1CCN(Cc2cccc(C(=O)N3CCc4ccc(N)cc43)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
MAPK1 P28482 1/20 0.52
HTR1A P08908 3/20 0.52
ADRA1D P25100 2/20 0.52
ADRA1A P35348 2/20 0.52
ADRA1B P35368 2/20 0.52
ATM Q13315 1/20 0.48
OPRM1 P35372 1/20 0.47
DRD4 P21917 2/20 0.46
DRD2 P14416 1/20 0.46
CHRM4 P08173 1/20 0.46
CCR5 P51681 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
SCHEMBL5823977 0.92 MEN1 (0.53) MEN1KMT2AMAPK1HTR1AATM
SCHEMBL5899207 0.91 HTR1A (0.62) MEN1KMT2AHTR1AADRA1DADRA1A
SCHEMBL5818308 0.85 MEN1 (0.53) MEN1KMT2AMAPK1ATMOPRM1
SCHEMBL5820590 0.83 MEN1 (0.55) MEN1KMT2AMAPK1HTR1AADRA1D
SCHEMBL5814914 0.81 HTR1A (0.75) MEN1KMT2AHTR1AADRA1DADRA1A
SCHEMBL5814935 0.79 MAPK1 (0.62) MEN1KMT2AMAPK1ATMOPRM1
SCHEMBL5813989 0.79 ALDH1A1 (0.50) MEN1KMT2AMAPK1ATMOPRM1
SCHEMBL5820560 0.78 HTR1A (0.84) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL5803590 0.77 MEN1 (0.59) MEN1KMT2AMAPK1ATMOPRM1
SCHEMBL5820685 0.76 ADRA1D (0.55) MEN1KMT2AHTR1AADRA1DADRA1A

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 MEN1 462/4885KMT2A 3813/4885MAPK1 524/4885

“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.