SCHEMBL19852346

SCHEMBL19852346

COc1ccc2c(c1)C(CN1CCC3(CC1)OCc1ccccc13)CC2

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
MTNR1A P48039 1/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL19852136 0.80 SIGMAR1 (0.47) SIGMAR1MTNR1AHTR1A
SCHEMBL21072108 0.76 DRD2 (0.55) SIGMAR1
SCHEMBL19852304 0.75 MTNR1A (0.49) SIGMAR1MTNR1AHTR1A
SCHEMBL11832479 0.74 SIGMAR1 (0.59) SIGMAR1
SCHEMBL7433042 0.73 GRIN1 (0.56)
SCHEMBL19838958 0.72 CYP26A1 (0.46) SIGMAR1MTNR1AHTR1A
Hydrochloric Acid SCHEMBL19838838 0.71 CYP26A1 (0.45) SIGMAR1MTNR1AHTR1A
SCHEMBL19852344 0.71 SIGMAR1 (0.50) SIGMAR1
SCHEMBL19852345 0.71 SIGMAR1 (0.57) SIGMAR1
SCHEMBL19852297 0.71 MTNR1A (0.45) SIGMAR1MTNR1A

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 612/4885MTNR1A 395/4885HTR1A 13/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C SIGMAR1 612/4885MTNR1A 395/4885HTR1A 13/4885

“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.