SCHEMBL4932623

SCHEMBL4932623

Fc1ccc2c(c1)CC[C@H](CBr)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.52
DRD2 P14416 2/20 0.52
HTR2A P28223 2/20 0.52
SLC6A4 P31645 2/20 0.52
MLNR O43193 1/20 0.52
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
KCNE1 P15382 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
CNR1 P21554 1/20 0.52
SLC6A2 P23975 1/20 0.52
NPY1R P25929 1/20 0.52
HTR2C P28335 1/20 0.52
AVPR2 P30518 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52

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
SCHEMBL4932628 1.00 HTR1A (0.52) HTR1ADRD2HTR2ASLC6A4MLNR
SCHEMBL7393372 0.85 SLC6A2 (0.51) HTR1ADRD2HTR2ASLC6A4MLNR
SCHEMBL8499319 0.85 HTR1A (0.51) HTR1ADRD2HTR2ASLC6A4MLNR
SCHEMBL935303 0.85 HTR1A (0.58) HTR1ADRD2HTR2ASLC6A4MLNR
SCHEMBL13979873 0.85 HTR1A (0.51) HTR1ADRD2HTR2ASLC6A4MLNR
SCHEMBL7992903 0.85 HTR1A (0.58) HTR1ADRD2HTR2ASLC6A4MLNR
SCHEMBL20007025 0.85 HTR1A (0.58) HTR1ADRD2HTR2ASLC6A4MLNR
SCHEMBL4225298 0.85 HRH3 (0.40) HTR1ADRD2HTR2ASLC6A4MLNR
SCHEMBL4225302 0.85 HRH3 (0.40) HTR1ADRD2HTR2ASLC6A4MLNR
Hydrochloric Acid SCHEMBL2248981 0.84 HTR1A (0.57) HTR1ADRD2HTR2ASLC6A4MLNR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039639-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-02-14 US disclosed
WO-2007123941-A2 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2007-11-01 WO 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-20080039639-A1 Chromane and chromene derivatives and uses thereof HTR1A, CHRM1, HTR2C HTR1A 1/4885DRD2 69/4885HTR2A 25/4885

“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.