SCHEMBL19852228

SCHEMBL19852228

COc1cccc(CCN2CCC3(CCc4ccccc4O3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.71
DRD2 P14416 3/20 0.71
SIGMAR1 Q99720 4/20 0.60
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
KCNH2 Q12809 3/20 0.56
HTR2C P28335 2/20 0.56
HTR1A P08908 2/20 0.51
OPRM1 P35372 1/20 0.50
HTR2B P41595 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL19852363 0.89 SIGMAR1 (0.70) HTR2ADRD2SIGMAR1ADRA1DADRA1A
SCHEMBL19852225 0.84 HTR2A (1.00) HTR2ADRD2SIGMAR1ADRA1DADRA1A
SCHEMBL19852226 0.79 ADRA1D (0.67) HTR2ADRD2SIGMAR1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL11545618 0.78 DRD2 (0.60) HTR2ADRD2SIGMAR1HRH3KCNH2
SCHEMBL8010281 0.76 DRD2 (0.74) HTR2ADRD2SIGMAR1ADRA1DADRA1A
SCHEMBL7439064 0.76 DRD2 (0.83) HTR2ADRD2SIGMAR1ADRA1DADRA1A
SCHEMBL10669091 0.74 HRH3 (1.00) SIGMAR1HRH3HTR1ASLC6A4
SCHEMBL8506973 0.74 ABCB1 (0.71) SIGMAR1ADRA1DADRA1AADRA1BHRH3
SCHEMBL17319036 0.74 SIGMAR1 (0.57) SIGMAR1ADRA1DADRA1AADRA1BHRH3
SCHEMBL11254741 0.74 DRD2 (0.80) HTR2ADRD2SIGMAR1ADRA1DADRA1A

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 HTR2A 2/4885DRD2 69/4885SIGMAR1 612/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C HTR2A 2/4885DRD2 69/4885SIGMAR1 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.