SCHEMBL19852469

SCHEMBL19852469

Fc1ccccc1OC1CCN(CC2COc3ccccc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
HTR1A P08908 4/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A3 Q01959 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
FPR2 P25090 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
KCNH2 Q12809 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL21072473 0.86 HTR7 (0.42) HTR1ASIGMAR1HTR2CSMN1; SMN2
SCHEMBL19852460 0.86 KCNH2 (0.46) HTR1ASIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL19852425 0.82 HTR7 (0.42) HTR1ASIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL19852463 0.79 PPARG (0.36) PPARGPPARDHTR1ASMN1; SMN2
SCHEMBL21071647 0.77 FPR2 (0.38) HTR1ASLC6A2SLC6A3FPR2PROKR1
SCHEMBL19852004 0.76 KCNH2 (0.55) HTR1ASIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL19838628 0.76 HTR2A (0.41) HTR1AHTR2CKCNH2SMN1; SMN2
SCHEMBL19852330 0.75 HTR7 (0.45) FPR2PROKR1ADRA1BKCNH2SMN1; SMN2
Hydrochloric Acid SCHEMBL19838581 0.75 HTR2A (0.41) HTR1AHTR2CKCNH2SMN1; SMN2
SCHEMBL19852003 0.73 KCNH2 (0.41) HTR1AKCNH2

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 PPARG 4228/4885PPARD 4644/4885HTR1A 13/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C PPARG 4228/4885PPARD 4644/4885HTR1A 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.