SCHEMBL3204291

SCHEMBL3204291

CCOc1ccccc1CCC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
PLEC Q15149 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
BRCA1 P38398 1/20 0.40
HBB P68871 1/20 0.40

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
SCHEMBL13531144 0.85 CYP1A2 (0.49) L3MBTL1MAPTNPSR1TSHRALDH1A1
SCHEMBL910555 0.82 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1TSHRALDH1A1
SCHEMBL15711441 0.82 L3MBTL1 (0.51) L3MBTL1MAPTNPSR1ALDH1A1MEN1
SCHEMBL3212475 0.81 TAAR1 (0.58) MAPTTSHRALDH1A1GAA
SCHEMBL7197450 0.81 L3MBTL1 (0.55) L3MBTL1MAPTNPSR1TSHRALDH1A1
SCHEMBL3178663 0.79 HTR1A (0.67) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL4262567 0.79 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1ALDH1A1MEN1
SCHEMBL20738328 0.79 L3MBTL1 (0.51) L3MBTL1MAPTNPSR1TSHRALDH1A1
SCHEMBL3299435 0.77 TSHR (0.38) L3MBTL1TSHRALDH1A1MEN1KMT2A
SCHEMBL8764227 0.76 MEN1 (0.52) L3MBTL1TSHRALDH1A1MEN1KMT2A

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 L3MBTL1 3798/4885MAPT 73/4885NPSR1 44/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C L3MBTL1 3798/4885MAPT 73/4885NPSR1 44/4885

“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.