SCHEMBL19852411

SCHEMBL19852411

Fc1ccc(O[C@H]2CCCN(CCC3CCOc4ccccc43)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
FFAR4 Q5NUL3 4/20 0.38
ROCK1 Q13464 3/20 0.37
ROCK2 O75116 2/20 0.37
HTR7 P34969 2/20 0.36
HTR2A P28223 1/20 0.36
ADRA1B P35368 1/20 0.35
CCR1 P32246 1/20 0.35
CCR3 P51677 1/20 0.35
CCR2 P41597 1/20 0.35
NOS2 P35228 2/20 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
SCHEMBL19852525 1.00 KCNH2 (0.46) KCNH2FFAR4ROCK1ROCK2HTR7
SCHEMBL19852325 0.88 KCNH2 (0.53) KCNH2HTR7HTR2AADRA1B
SCHEMBL19838628 0.79 HTR2A (0.41) KCNH2HTR7HTR2ACCR3
Hydrochloric Acid SCHEMBL19838581 0.78 HTR2A (0.41) KCNH2HTR7HTR2ACCR3
SCHEMBL19852330 0.78 HTR7 (0.45) KCNH2HTR7HTR2AADRA1B
SCHEMBL9824929 0.77 KCNH2 (0.49) KCNH2HTR2A
SCHEMBL19852425 0.76 HTR7 (0.42) KCNH2HTR7HTR2AADRA1BCCR3
Hydrochloric Acid SCHEMBL10407709 0.75 HTR1A (0.55) KCNH2HTR7HTR2AADRA1B
SCHEMBL19839340 0.72 HTR2A (0.43) FFAR4ROCK1ROCK2HTR7HTR2A
SCHEMBL19852517 0.72 HTR2A (0.43) FFAR4ROCK1ROCK2HTR7HTR2A

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 KCNH2 158/4885FFAR4 3733/4885ROCK1 2401/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C KCNH2 158/4885FFAR4 3733/4885ROCK1 2401/4885

“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.