SCHEMBL19852136

SCHEMBL19852136

COc1ccc2c(c1)C(CN1CCC3(CCc4ccccc4O3)CC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
HTR1A P08908 3/20 0.46
HTR2A P28223 5/20 0.46
DRD2 P14416 4/20 0.46
HTR2C P28335 3/20 0.46
KCNH2 Q12809 2/20 0.46
MTNR1A P48039 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL19838594 0.85 SIGMAR1 (0.57) SIGMAR1HTR1AHTR2ADRD2HTR2C
SCHEMBL19852346 0.80 SIGMAR1 (0.44) SIGMAR1HTR1AMTNR1A
SCHEMBL19852343 0.79 SIGMAR1 (0.52) SIGMAR1HTR2ADRD2HTR2CKCNH2
SCHEMBL19852144 0.77 SIGMAR1 (0.51) SIGMAR1HTR1AHTR2ADRD2HTR2C
SCHEMBL19852304 0.77 MTNR1A (0.49) SIGMAR1HTR1AMTNR1A
SCHEMBL21072108 0.76 DRD2 (0.55) SIGMAR1DRD2
SCHEMBL19852125 0.75 SIGMAR1 (0.46) SIGMAR1HTR2ADRD2HTR2CKCNH2
SCHEMBL19852145 0.75 SIGMAR1 (0.46) SIGMAR1HTR2ADRD2HTR2CKCNH2
SCHEMBL19852338 0.75 SIGMAR1 (0.46) SIGMAR1HTR2ADRD2HTR2CKCNH2
SCHEMBL19852363 0.75 SIGMAR1 (0.70) SIGMAR1HTR1AHTR2ADRD2HTR2C

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 SIGMAR1 612/4885HTR1A 13/4885HTR2A 2/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C SIGMAR1 612/4885HTR1A 13/4885HTR2A 2/4885

“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.