SCHEMBL21072129

SCHEMBL21072129

COc1ccccc1OC1COC2(C1)CN(CC1CCc3ccccc31)C2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
PIN1 Q13526 1/20 0.35
HTR7 P34969 1/20 0.35
SLC6A2 P23975 2/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR1A P08908 1/20 0.33

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
SCHEMBL19852085 0.85 HTR7 (0.37) SIGMAR1HTR7HTR1A
SCHEMBL19851991 0.85 HTR7 (0.37) SIGMAR1HTR7HTR1A
SCHEMBL19839305 0.85 HTR7 (0.37) SIGMAR1HTR7HTR1A
SCHEMBL19852167 0.85 HTR7 (0.37) SIGMAR1HTR7HTR1A
SCHEMBL19839310 0.85 HTR7 (0.37) SIGMAR1HTR7HTR1A
SCHEMBL21072050 0.85 HTR7 (0.37) SIGMAR1HTR7HTR1A
SCHEMBL21071812 0.85 HTR7 (0.37) SIGMAR1HTR7HTR1A
SCHEMBL21071728 0.85 HTR7 (0.37) SIGMAR1HTR7HTR1A
SCHEMBL19852489 0.84 HTR2A (0.36) HTR7HTR1A
SCHEMBL19852300 0.80 HTR7 (0.47) SIGMAR1PIN1HTR7HTR1A

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 4 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-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
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US 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 612/4885CHRM4 521/4885CHRM1 462/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C SIGMAR1 612/4885CHRM4 521/4885CHRM1 462/4885

“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.