SCHEMBL19852336

SCHEMBL19852336

c1ccc2c(c1)CC1(CCN(CC3CCc4cccnc43)CC1)O2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.44
KCNH2 Q12809 8/20 0.44
SIGMAR1 Q99720 1/20 0.43
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
EPHX2 P34913 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2C P28335 1/20 0.36
CCR1 P32246 1/20 0.36

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
SCHEMBL19852132 0.78 SIGMAR1 (0.42) OPRL1KCNH2SIGMAR1DRD2HTR2A
SCHEMBL19852143 0.77 EPHX2 (0.46) OPRL1KCNH2SIGMAR1DRD2HTR2A
SCHEMBL19852122 0.77 SIGMAR1 (0.50) OPRL1KCNH2SIGMAR1DRD2HTR2A
Hydrochloric Acid SCHEMBL11543314 0.76 SIGMAR1 (0.50) OPRL1KCNH2SIGMAR1DRD2HTR2A
SCHEMBL11257251 0.75 SIGMAR1 (0.49) OPRL1KCNH2SIGMAR1DRD2HTR2A
SCHEMBL19852295 0.75 SIGMAR1 (0.50) OPRL1KCNH2SIGMAR1DRD2HTR2A
SCHEMBL19838594 0.75 SIGMAR1 (0.57) OPRL1KCNH2SIGMAR1DRD2HTR2A
Hydrochloric Acid SCHEMBL11251946 0.74 SIGMAR1 (0.50) OPRL1KCNH2SIGMAR1DRD2HTR2A
SCHEMBL11542799 0.74 SIGMAR1 (0.54) OPRL1SIGMAR1DRD2HTR2ACCR1
SCHEMBL19852144 0.74 SIGMAR1 (0.51) OPRL1KCNH2SIGMAR1DRD2HTR2A

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 OPRL1 60/4885KCNH2 158/4885SIGMAR1 612/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C OPRL1 60/4885KCNH2 158/4885SIGMAR1 612/4885

“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.