SCHEMBL19852226

SCHEMBL19852226

COc1ccccc1CCN1CCC2(CCc3ccccc3O2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.67
ADRA1A P35348 2/20 0.67
ADRA1B P35368 2/20 0.67
DRD2 P14416 6/20 0.65
HTR2A P28223 6/20 0.65
HTR2C P28335 5/20 0.64
KCNH2 Q12809 4/20 0.64
SIGMAR1 Q99720 4/20 0.59
HRH3 Q9Y5N1 1/20 0.56

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
SCHEMBL19852369 0.88 SIGMAR1 (0.63) ADRA1DADRA1AADRA1BDRD2HTR2A
SCHEMBL19852225 0.79 HTR2A (1.00) ADRA1DADRA1AADRA1BDRD2HTR2A
SCHEMBL19852228 0.79 HTR2A (0.71) ADRA1DADRA1AADRA1BDRD2HTR2A
SCHEMBL8010281 0.78 DRD2 (0.74) ADRA1DADRA1AADRA1BDRD2HTR2A
SCHEMBL8576957 0.76 DRD2 (0.67) ADRA1DADRA1AADRA1BDRD2HTR2A
SCHEMBL19838782 0.76 HTR2A (0.71) ADRA1DADRA1AADRA1BDRD2HTR2A
SCHEMBL19838801 0.76 HTR2A (0.71) ADRA1DADRA1AADRA1BDRD2HTR2A
SCHEMBL5317315 0.75 HTR2A (0.64) ADRA1DADRA1AADRA1BDRD2HTR2A
SCHEMBL7439064 0.73 DRD2 (0.83) ADRA1DADRA1AADRA1BDRD2HTR2A
SCHEMBL23926326 0.73 SIGMAR1 (0.79) DRD2KCNH2SIGMAR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 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 (2 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C ADRA1D 250/4885ADRA1A 330/4885ADRA1B 287/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C ADRA1D 250/4885ADRA1A 330/4885ADRA1B 287/4885

“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.