SCHEMBL23957135

SCHEMBL23957135

Fc1ccc2c(c1)CCC1(CNC1)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.48
HTR2A P28223 8/20 0.48
EPHX2 P34913 2/20 0.45
HTR2C P28335 9/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
KCNH2 Q12809 3/20 0.41
OXTR P30559 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KDM1A O60341 1/20 0.35
MLNR O43193 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
KCNE1 P15382 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL1690952 0.85 HTR2A (0.50) DRD2HTR2AEPHX2HTR2CTRPM8
SCHEMBL20612461 0.83 DRD2 (0.53) DRD2HTR2AEPHX2HTR2CTRPM8
SCHEMBL6025550 0.76 PKM (0.48) DRD2HTR2AEPHX2HTR2CTRPM8
SCHEMBL30529385 0.75 HTR2C (0.49) DRD2HTR2AEPHX2HTR2CTRPM8
SCHEMBL3859304 0.75 HTR2C (0.49) DRD2HTR2AEPHX2HTR2CTRPM8
SCHEMBL23928891 0.75 SIGMAR1 (0.50) DRD2HTR2AEPHX2HTR2CTRPM8
SCHEMBL19030580 0.75 HTR2C (0.39) DRD2HTR2AHTR2CHTR2B
Bromide SCHEMBL5772502 0.74 HTR2C (0.48) DRD2HTR2AEPHX2HTR2CTRPM8
Hydrochloric Acid SCHEMBL4214755 0.74 HTR2C (0.48) DRD2HTR2AEPHX2HTR2CTRPM8
SCHEMBL15075094 0.73 EPHX2 (0.43) DRD2HTR2AEPHX2HTR2CTRPM8

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-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 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-20210330650-A1 SPIROCHROMANE DERIVATIVES CHRNA7, CHRM3, ADRB3 DRD2 262/4885HTR2A 398/4885EPHX2 1079/4885

“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.