SCHEMBL19852145

SCHEMBL19852145

c1ccc2c(c1)CCC2CN1CCC2(CCc3ccncc3O2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
DRD2 P14416 3/20 0.44
HTR2A P28223 3/20 0.44
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HSD11B1 P28845 2/20 0.39
KCNH2 Q12809 2/20 0.39
HTR2C P28335 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
SCD O00767 3/20 0.37
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL19852125 0.91 SIGMAR1 (0.46) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL19852144 0.89 SIGMAR1 (0.51) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL19838594 0.89 SIGMAR1 (0.57) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL19852343 0.82 SIGMAR1 (0.52) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL19852143 0.82 EPHX2 (0.46) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL19852139 0.81 OPRL1 (0.41) SIGMAR1DRD2HTR2AHSD11B1KCNH2
SCHEMBL19852122 0.80 SIGMAR1 (0.50) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL19852338 0.78 SIGMAR1 (0.46) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL19852361 0.77 DRD2 (0.59) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL19852359 0.76 SIGMAR1 (0.54) 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 612/4885DRD2 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.