SCHEMBL3208304

SCHEMBL3208304

COc1cccc(F)c1CCC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR2A P28223 1/20 0.39
NFE2L2 Q16236 1/20 0.38
TSHR P16473 1/20 0.38
AR P10275 1/20 0.36
EED O75530 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL3217269 0.88 KMT2A (0.45) MAPK1SMN1; SMN2MEN1KMT2AHTR2A
SCHEMBL16964345 0.83 KDM1A (0.43) KDM1AMAOAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL14375354 0.82 MEN1 (0.50) SMN1; SMN2MEN1KMT2ATSHRTAAR1
SCHEMBL3212566 0.80 NPC1 (0.39) SMN1; SMN2L3MBTL1MEN1KMT2ATSHR
SCHEMBL1239851 0.79 TAAR1 (0.53) KDM1AMAOAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL20858089 0.79 L3MBTL1 (0.44) KDM1AMAOAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL7706276 0.79 L3MBTL1 (0.44) KDM1AMAOAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL9921647 0.77 MEN1 (0.42) SMN1; SMN2L3MBTL1MEN1KMT2ATSHR
SCHEMBL178447 0.77 L3MBTL1 (0.46) KDM1AMAOAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL19304367 0.76 ALOX5 (0.46) KDM1AMAOAMAPK1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C KDM1A 3671/4885MAOA 35/4885MAPK1 2132/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C KDM1A 3671/4885MAOA 35/4885MAPK1 2132/4885

“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.