SCHEMBL19852363

SCHEMBL19852363

COc1cccc(CN2CCC3(CCc4ccccc4O3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.70
DRD2 P14416 5/20 0.57
HTR2A P28223 5/20 0.57
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTR2B P41595 2/20 0.49
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
HTR2C P28335 3/20 0.48
KCNH2 Q12809 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL19852228 0.89 HTR2A (0.71) SIGMAR1DRD2HTR2AHTR2BHTR1A
SCHEMBL7326095 0.83 SIGMAR1 (1.00) SIGMAR1DRD2HTR2AALDH1A1HTR2B
SCHEMBL19852369 0.78 SIGMAR1 (0.63) SIGMAR1DRD2HTR2AALDH1A1HTR2B
SCHEMBL28186295 0.75 SIGMAR1 (0.90) SIGMAR1DRD2KDM4EALDH1A1HTR2B
SCHEMBL20804357 0.75 SIGMAR1 (0.90) SIGMAR1DRD2KDM4EALDH1A1HTR2B
SCHEMBL8029650 0.75 SIGMAR1 (0.71) SIGMAR1DRD2KDM4EALDH1A1HTR2B
SCHEMBL19852136 0.75 SIGMAR1 (0.47) SIGMAR1DRD2HTR2AHTR1AADRA1D
SCHEMBL667525 0.74 SIGMAR1 (0.63) SIGMAR1DRD2KDM4EALDH1A1HTR2B
SCHEMBL14076364 0.73 SIGMAR1 (0.79) SIGMAR1DRD2KDM4EALDH1A1HTR2B
SCHEMBL19852225 0.73 HTR2A (1.00) SIGMAR1DRD2HTR2AHTR2BADRA1D

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 612/4885DRD2 69/4885HTR2A 2/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C SIGMAR1 612/4885DRD2 69/4885HTR2A 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.