SCHEMBL20031036

SCHEMBL20031036

O[C@@]1([C@@H]2CCCN2)OCCc2ccc(F)cc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.37
KMT2A Q03164 1/20 0.33
HTR2C P28335 4/20 0.31
HTR2A P28223 3/20 0.31
AKR1B1 P15121 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
PRPS1 P60891 1/20 0.31
HTR2B P41595 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 0.91 SRD5A1 (0.32) KDM1AKMT2AHTR2CHTR2AAKR1B1
SCHEMBL21119087 0.87 AKR1B1 (0.32) KDM1AHTR2CHTR2AAKR1B1HTR2B
SCHEMBL20031068 0.82 TMEM97 (0.38) KDM1ASLC6A4SLC6A3
SCHEMBL21119417 0.78 KDM1A (0.42) KDM1A
SCHEMBL18022626 0.77 SRD5A1 (0.36) KDM1AKMT2AHTR2CHTR2ASLC6A4
SCHEMBL20031030 0.75 HTR2A (0.31) HTR2A
SCHEMBL24080197 0.71 SCN4A (0.36) HTR2CSLC6A4SLC6A3HTR2B
SCHEMBL24080177 0.71 SCN4A (0.36) HTR2CSLC6A4SLC6A3HTR2B
SCHEMBL24080186 0.70 EED (0.34)
SCHEMBL17980202 0.68 SLC6A4 (0.33) KDM1AHTR2CHTR2ASLC6A4SLC6A3

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-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
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 KDM1A 1189/4885KMT2A 676/4885HTR2C 55/4885
US-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 KDM1A 1189/4885KMT2A 676/4885HTR2C 55/4885
US-10336732-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders CNR1, HCRTR1, CNR2 KDM1A 1189/4885KMT2A 676/4885HTR2C 55/4885

“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.