SCHEMBL19852523

SCHEMBL19852523

Fc1ccc(O[C@H]2CCCN(CC3COCc4ccccc43)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
ROCK1 Q13464 5/20 0.37
ROCK2 O75116 3/20 0.37
CCR2 P41597 1/20 0.37
FFAR4 Q5NUL3 5/20 0.36
KDM2B Q8NHM5 1/20 0.35
KCNH2 Q12809 1/20 0.34
KCNK3 O14649 1/20 0.33
ADRB2 P07550 1/20 0.33
MLNR O43193 1/20 0.32
CYP3A4 P08684 1/20 0.32
CCR1 P32246 1/20 0.32
CCR3 P51677 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL19852519 1.00 HTR2A (0.39) HTR2AHTR7ROCK1ROCK2CCR2
SCHEMBL19852188 0.94 HTR7 (0.42) HTR2AHTR7KCNK3ADRB2MLNR
SCHEMBL19852187 0.94 HTR7 (0.42) HTR2AHTR7KCNK3ADRB2MLNR
SCHEMBL21071623 0.87 HTR7 (0.45) HTR2AHTR7ADRB2MLNRCYP3A4
SCHEMBL19839340 0.85 HTR2A (0.43) HTR2AHTR7ROCK1ROCK2CCR2
SCHEMBL19852517 0.85 HTR2A (0.43) HTR2AHTR7ROCK1ROCK2CCR2
SCHEMBL19852423 0.82 HTR2A (0.42) HTR2AHTR7FFAR4KDM2BADRB2
SCHEMBL19852322 0.79 HTR7 (0.48) HTR2AHTR7ADRB2
SCHEMBL19852422 0.78 HTR2A (0.41) HTR2AHTR7
SCHEMBL19839851 0.77 HTR7 (0.50) HTR2AHTR7ADRB2CCR3

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 HTR2A 2/4885HTR7 112/4885ROCK1 2401/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C HTR2A 2/4885HTR7 112/4885ROCK1 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.