SCHEMBL21119087

SCHEMBL21119087

O[C@@]1([C@@H]2CCCCN2)OCCc2cc(F)ccc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.32
TRPA1 O75762 1/20 0.32
SRD5A1 P18405 1/20 0.32
KDM1A O60341 2/20 0.31
HTR2C P28335 4/20 0.31
HTR2A P28223 3/20 0.31
MEN1 O00255 1/20 0.31
DPP9 Q86TI2 2/20 0.30
HTR2B P41595 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL20030625 0.96 SRD5A1 (0.32) AKR1B1TRPA1SRD5A1KDM1AHTR2C
SCHEMBL20031036 0.87 KDM1A (0.37) AKR1B1KDM1AHTR2CHTR2AHTR2B
SCHEMBL21119417 0.82 KDM1A (0.42) KDM1A
SCHEMBL18022626 0.80 SRD5A1 (0.36) SRD5A1KDM1AHTR2CHTR2AMEN1
SCHEMBL20031068 0.78 TMEM97 (0.38) KDM1A
SCHEMBL20031030 0.71 HTR2A (0.31) HTR2A
SCHEMBL17980071 0.69 SLC6A4 (0.33) SRD5A1KDM1AHTR2CHTR2AHTR2B
SCHEMBL17980296 0.69 SLC6A4 (0.33) SRD5A1KDM1AHTR2CHTR2AHTR2B
SCHEMBL17980034 0.69 SLC6A4 (0.33) SRD5A1KDM1AHTR2CHTR2AHTR2B
SCHEMBL17980202 0.69 SLC6A4 (0.33) SRD5A1KDM1AHTR2CHTR2AHTR2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185799-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2022-06-16 US disclosed
US-11192885-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-12-07 US disclosed
US-10336732-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2019-07-02 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 (3 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-11192885-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders CNR1, HCRTR1, CNR2 AKR1B1 444/4885TRPA1 3217/4885SRD5A1 1253/4885
US-20220185799-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 AKR1B1 444/4885TRPA1 3217/4885SRD5A1 1253/4885
US-10336732-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders CNR1, HCRTR1, CNR2 AKR1B1 444/4885TRPA1 3217/4885SRD5A1 1253/4885

“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.