SCHEMBL20031152

SCHEMBL20031152

CCCNC[C@@H]1OCCc2ccc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
TAAR1 Q96RJ0 4/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 1/20 0.37
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL20030624 0.92 HTR1D (0.40) HTR1DHTR1BTSHRRECQLTAAR1
SCHEMBL20030623 0.92 HTR1D (0.40) HTR1DHTR1BTSHRRECQLTAAR1
SCHEMBL24080193 0.90 HTR1D (0.41) HTR1DHTR1BTSHRRECQLTAAR1
SCHEMBL20030610 0.90 HTR1D (0.41) HTR1DHTR1BTSHRRECQLTAAR1
SCHEMBL19812798 0.83 TAAR1 (0.55) TSHRRECQLTAAR1HTR2AHTR2C
SCHEMBL30360664 0.83 TAAR1 (0.55) TSHRRECQLTAAR1HTR2AHTR2C
SCHEMBL30360680 0.83 TAAR1 (0.55) TSHRRECQLTAAR1HTR2AHTR2C
SCHEMBL32670755 0.83 TAAR1 (0.55) TSHRRECQLTAAR1HTR2AHTR2C
SCHEMBL19812867 0.83 TAAR1 (0.55) TSHRRECQLTAAR1HTR2AHTR2C
SCHEMBL19812796 0.83 TAAR1 (0.55) TSHRRECQLTAAR1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 HTR1D 52/4885HTR1B 34/4885TSHR 477/4885
US-10336732-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders CNR1, HCRTR1, CNR2 HTR1D 52/4885HTR1B 34/4885TSHR 477/4885

“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.