SCHEMBL21072206

SCHEMBL21072206

Fc1ccc(O[C@@H]2CCN(CC3CCc4cnccc43)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
NAMPT P43490 12/20 0.39
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
ROCK1 Q13464 2/20 0.37
ROCK2 O75116 1/20 0.37
CCR1 P32246 1/20 0.36
CCR3 P51677 1/20 0.36

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
SCHEMBL21071557 1.00 ESR1 (0.39) ESR1NAMPTHTR2AHTR7ROCK1
SCHEMBL21071559 1.00 ESR1 (0.39) ESR1NAMPTHTR2AHTR7ROCK1
SCHEMBL21071864 0.92 ESR1 (0.39) ESR1NAMPTHTR2AHTR7ROCK1
SCHEMBL19839294 0.92 ESR1 (0.39) ESR1NAMPTHTR2AHTR7ROCK1
SCHEMBL19839292 0.92 ESR1 (0.39) ESR1NAMPTHTR2AHTR7ROCK1
SCHEMBL19852326 0.85 NAMPT (0.47) NAMPTHTR2AHTR7
SCHEMBL19852180 0.80 HTR7 (0.51) HTR2AHTR7CCR3
SCHEMBL21071810 0.79 CYP19A1 (0.39) HTR2AHTR7CCR1CCR3
SCHEMBL21071466 0.79 HTR7 (0.44) ESR1HTR2AHTR7CCR1CCR3
SCHEMBL21071464 0.79 HTR7 (0.44) ESR1HTR2AHTR7CCR1CCR3

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 4 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

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 ESR1 4271/4885NAMPT 2423/4885HTR2A 2/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C ESR1 4271/4885NAMPT 2423/4885HTR2A 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.