SCHEMBL19852513

SCHEMBL19852513

Fc1ccc(OCCCN2CCN(c3nsc4ccccc34)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.69
HTR1A P08908 9/20 0.69
HTR2A P28223 8/20 0.69
DRD3 P35462 3/20 0.60
HRH1 P35367 2/20 0.60
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
DRD1 P21728 2/20 0.59
HTR7 P34969 3/20 0.58
ADRA2C P18825 1/20 0.58
DRD5 P21918 1/20 0.58
HTR6 P50406 1/20 0.58

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
SCHEMBL9380224 0.87 HTR1A (0.68) DRD2HTR1AHTR2AHRH1HTR7
SCHEMBL9381653 0.85 DRD2 (0.63) DRD2HTR1AHTR2ADRD3HRH1
SCHEMBL6104465 0.83 DRD2 (0.62) DRD2HTR1AHTR2ADRD3HRH1
SCHEMBL21142444 0.81 DRD2 (0.60) DRD2HTR1AHTR2ADRD3HRH1
SCHEMBL29502326 0.81
SCHEMBL6185115 0.81 HTR2A (0.65) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL11080954 0.81 SIGMAR1 (0.59) DRD2HTR1ADRD3SIGMAR1HTR7
SCHEMBL11080619 0.80 HTR1A (0.60) DRD2HTR1AHTR2ADRD3HRH1
Hydrochloric Acid SCHEMBL11078890 0.80 SIGMAR1 (0.58) DRD2HTR1ADRD3SIGMAR1HTR7
SCHEMBL25335774 0.80 HTR2A (0.67) DRD2HTR1AHTR2AHTR7HTR6

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

“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.