SCHEMBL19852166

SCHEMBL19852166

COc1ccccc1O[C@H]1CCN(CC2Cc3ccccc3C2)[C@H](C)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.45
PDE10A Q9Y233 2/20 0.43
DRD2 P14416 3/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
EPHX2 P34913 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38

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
SCHEMBL19838567 1.00 HTR1A (0.45) HTR1APDE10ADRD2HTR2AHTR2C
SCHEMBL19838954 1.00 HTR1A (0.45) HTR1APDE10ADRD2HTR2AHTR2C
SCHEMBL19852165 1.00 HTR1A (0.45) HTR1APDE10ADRD2HTR2AHTR2C
SCHEMBL21071833 0.89 PDE10A (0.41) HTR1APDE10ADRD2HTR2AHTR2C
SCHEMBL19852159 0.89 PDE10A (0.41) HTR1APDE10ADRD2HTR2AHTR2C
SCHEMBL19852349 0.81 SIGMAR1 (0.52) HTR1APDE10ADRD2HTR2AHTR2C
SCHEMBL22668869 0.77 SIGMAR1 (0.41) HTR1ADRD2SIGMAR1
SCHEMBL21072219 0.76 MTNR1A (0.43) DRD2SIGMAR1
SCHEMBL21071428 0.76 MTNR1A (0.43) DRD2SIGMAR1
SCHEMBL19852147 0.71 SIGMAR1 (0.45) HTR1ADRD2HTR2AHTR2CSIGMAR1

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 HTR1A 13/4885PDE10A 431/4885DRD2 69/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C HTR1A 13/4885PDE10A 431/4885DRD2 69/4885

“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.