SCHEMBL19852257

SCHEMBL19852257

c1ccc2c(c1)CC1(CCN(CC3CCc4ccccc43)CC1)CO2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 3/20 0.36
HTR1A P08908 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR6 P50406 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
SCHEMBL19838594 0.77 SIGMAR1 (0.57) OPRM1OPRL1KCNH2SIGMAR1HTR1A
SCHEMBL19852259 0.74 OPRM1 (0.39) OPRM1OPRL1SIGMAR1HTR1AHTR6
SCHEMBL4214758 0.74 SIGMAR1 (0.62) OPRL1SIGMAR1
SCHEMBL19852260 0.73 EPHX2 (0.62) SIGMAR1
Hydrochloric Acid SCHEMBL19839769 0.73 OPRM1 (0.38) OPRM1OPRL1SIGMAR1HTR6
SCHEMBL19852343 0.73 SIGMAR1 (0.52) OPRM1OPRL1KCNH2SIGMAR1
SCHEMBL23508721 0.72 TSHR (0.40) SIGMAR1
SCHEMBL6795934 0.72 METAP1 (0.51) SIGMAR1HTR1AHTR6
SCHEMBL28644317 0.72 OXTR (0.39)
SCHEMBL19852143 0.71 EPHX2 (0.46) OPRL1KCNH2SIGMAR1

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 OPRM1 171/4885OPRL1 60/4885KCNH2 158/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C OPRM1 171/4885OPRL1 60/4885KCNH2 158/4885

“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.