SCHEMBL19852043

SCHEMBL19852043

COc1cccc(CCCN2CCC(Oc3ccccc3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.71
HTR1A P08908 1/20 0.60
SLC6A4 P31645 1/20 0.60
OPRM1 P35372 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
DRD2 P14416 1/20 0.54
HTR2B P41595 1/20 0.54
CARM1 Q86X55 1/20 0.54
PRMT6 Q96LA8 1/20 0.54

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
SCHEMBL19852070 0.87 SIGMAR1 (0.62) SIGMAR1HRH3CARM1PRMT6
SCHEMBL18672550 0.83 SIGMAR1 (1.00) SIGMAR1HTR1ASLC6A4HRH3
Hydrochloric Acid SCHEMBL27726278 0.82 SIGMAR1 (0.97) SIGMAR1HTR1ASLC6A4HRH3
SCHEMBL22813625 0.82 HRH3 (0.83) SIGMAR1HTR1ASLC6A4HRH3DRD2
SCHEMBL7319920 0.81 SIGMAR1 (0.69) SIGMAR1HTR1ASLC6A4OPRM1DRD2
SCHEMBL19852049 0.80 HRH3 (0.65) SIGMAR1HTR1ASLC6A4HRH3DRD2
SCHEMBL15962434 0.80 SIGMAR1 (0.82) SIGMAR1DRD2HTR2B
Hydrochloric Acid SCHEMBL7310794 0.80 SIGMAR1 (0.67) SIGMAR1HTR1ASLC6A4OPRM1DRD2
Hydrochloric Acid SCHEMBL10352286 0.79 HRH3 (0.78) SIGMAR1SLC6A4HRH3DRD2HTR2B
SCHEMBL19852051 0.79 CARM1 (0.64) SIGMAR1HTR1ASLC6A4OPRM1HRH3

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 5 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
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 612/4885HTR1A 13/4885SLC6A4 15/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C SIGMAR1 612/4885HTR1A 13/4885SLC6A4 15/4885

“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.