SCHEMBL19829969

SCHEMBL19829969

Cc1cccc2c1COC[C@@H]2N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.38
HTR2C P28335 4/20 0.37
HTR2A P28223 2/20 0.37
HTR2B P41595 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
SLC6A2 P23975 5/20 0.36
SLC6A3 Q01959 5/20 0.36
SLC6A4 P31645 4/20 0.36
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL19827813 1.00 AADAT (0.38) AADATHTR2CHTR2AHTR2BKDM4E
SCHEMBL19829929 1.00 AADAT (0.38) AADATHTR2CHTR2AHTR2BKDM4E
SCHEMBL19827832 0.82 SLC6A2 (0.40) AADATHTR2CHTR2AHTR2BKDM4E
SCHEMBL11981385 0.79 ACHE (0.41) HTR2CHTR2AHTR2BKDM4ETAAR1
SCHEMBL19827929 0.79 ACHE (0.41) HTR2CHTR2AHTR2BKDM4ETAAR1
SCHEMBL12705553 0.78 KDM1A (0.40) AADATHTR2CHTR2BTAAR1
SCHEMBL19829964 0.78 AADAT (0.38) AADATHTR2CHTR2AHTR2BTAAR1
SCHEMBL19827807 0.78 AADAT (0.38) AADATHTR2CHTR2AHTR2BTAAR1
SCHEMBL19829970 0.78 AADAT (0.38) AADATHTR2CHTR2AHTR2BTAAR1
SCHEMBL1266278 0.78 KDM1A (0.40) AADATHTR2CHTR2BTAAR1

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-11077090-B2 Compounds and compositions and uses thereof SUNOVION PHARMACEUTICALS INC. (MA) 2021-08-03 US disclosed
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF PGI DRUG DISCOVERY LLC 2018-02-01 US disclosed
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF PGI DRUG DISCOVERY LLC 2018-02-01 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-11077090-B2 Compounds and compositions and uses thereof ACHE, CHAT, MAOB AADAT 144/4885HTR2C 196/4885HTR2A 199/4885
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF ACHE, CHAT, MAOB AADAT 144/4885HTR2C 196/4885HTR2A 199/4885

“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.