SCHEMBL6918573

SCHEMBL6918573

O=C(O)N1CC[C@H]2C(C1)c1cc(Br)cc3c1N2CCC3

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.40
HTR2C P28335 14/20 0.40
DRD2 P14416 9/20 0.40
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A4 P31645 1/20 0.39
CCR3 P51677 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASP6 P55212 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL5415814 1.00 HTR2A (0.40) HTR2AHTR2CDRD2HTR1ADRD4
SCHEMBL5407433 1.00 HTR2A (0.40) HTR2AHTR2CDRD2HTR1ADRD4
SCHEMBL5413940 0.96 HTR2A (0.41) HTR2AHTR2CDRD2HTR1ADRD4
SCHEMBL5420075 0.96 HTR2A (0.41) HTR2AHTR2CDRD2HTR1ADRD4
SCHEMBL5417815 0.96 HTR2A (0.41) HTR2AHTR2CDRD2HTR1ADRD4
SCHEMBL5421768 0.96 HTR2A (0.38) HTR2AHTR2CDRD2HTR1ADRD4
SCHEMBL5421771 0.96 HTR2A (0.38) HTR2AHTR2CDRD2HTR1ADRD4
SCHEMBL6812114 0.93 HTR2A (0.39) HTR2AHTR2CDRD2CCR3USP2
SCHEMBL5410734 0.93 HTR2A (0.39) HTR2AHTR2CDRD2CCR3USP2
SCHEMBL5410739 0.93 HTR2A (0.39) HTR2AHTR2CDRD2CCR3USP2

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-20040209864-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-10-21 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-20040209864-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 HTR2A 30/4885HTR2C 2/4885DRD2 16/4885

“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.