SCHEMBL19852369

SCHEMBL19852369

COc1ccccc1CN1CCC2(CCc3ccccc3O2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.63
CYP2D6 P10635 9/20 0.54
DRD2 P14416 4/20 0.54
HTR2A P28223 3/20 0.54
USP2 O75604 2/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
HTR2C P28335 2/20 0.52
KCNH2 Q12809 2/20 0.52
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2B P41595 1/20 0.46
GNAI3 P08754 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45

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
SCHEMBL19852226 0.88 ADRA1D (0.67) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL19852363 0.78 SIGMAR1 (0.70) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL7326095 0.78 SIGMAR1 (1.00) SIGMAR1CYP2D6DRD2HTR2AADRA1D
SCHEMBL8010281 0.74 DRD2 (0.74) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL5317315 0.74 HTR2A (0.64) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL12542502 0.73 SIGMAR1 (0.60) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL8035829 0.73 HTR1A (0.65) SIGMAR1DRD2ADRA1DADRA1AADRA1B
SCHEMBL8576957 0.73 DRD2 (0.67) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL13559793 0.72 SIGMAR1 (0.65) SIGMAR1CYP2D6DRD2USP2KCNH2
SCHEMBL19838782 0.72 HTR2A (0.71) SIGMAR1DRD2HTR2AADRA1DADRA1A

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 612/4885CYP2D6 571/4885DRD2 69/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C SIGMAR1 612/4885CYP2D6 571/4885DRD2 69/4885

“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.