SCHEMBL20031068

SCHEMBL20031068

O[C@@]1([C@@H]2CCCN2)OCCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.38
KDM1A O60341 3/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL21119417 0.96 KDM1A (0.42) TMEM97KDM1AOPRM1OPRD1OPRK1
SCHEMBL20031036 0.82 KDM1A (0.37) KDM1ASLC6A4SLC6A3
SCHEMBL20030625 0.81 SRD5A1 (0.32) KDM1ASLC6A4SLC6A3
SCHEMBL24080177 0.80 SCN4A (0.36) SLC6A4SLC6A3CHRM2CHRM4CHRM5
SCHEMBL24080197 0.80 SCN4A (0.36) SLC6A4SLC6A3CHRM2CHRM4CHRM5
SCHEMBL20031030 0.79 HTR2A (0.31)
SCHEMBL21119087 0.78 AKR1B1 (0.32) KDM1A
SCHEMBL24080192 0.77 MAPK1 (0.35) KDM1AMAPK1SMN1; SMN2SLC6A4SLC6A3
SCHEMBL20031066 0.77 PNMT (0.30)
SCHEMBL20833495 0.77 KDM1A (0.41) KDM1AMAPK1SMN1; SMN2SLC6A4SLC6A3

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-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-04-05 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 TMEM97 2018/4885KDM1A 1189/4885OPRM1 290/4885
US-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 TMEM97 2018/4885KDM1A 1189/4885OPRM1 290/4885
US-20220185799-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 TMEM97 2018/4885KDM1A 1189/4885OPRM1 290/4885

“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.