SCHEMBL2260409

SCHEMBL2260409

Cc1cccc(CC(C)(C)NC=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
ACHE P22303 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
IDO1 P14902 2/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
CTBP2 P56545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL563643 0.84 TACR1 (0.34) ALDH1A1LMNACYP2D6MEN1KMT2A
SCHEMBL165251 0.80 LMNA (0.59) TAAR1ALDH1A1LMNACYP2D6MEN1
SCHEMBL1719722 0.80 HTR2A (0.46) TAAR1MAOBIDO1POLBALDH1A1
SCHEMBL29845719 0.77 MEN1 (0.46) TAAR1ACHEMAOAMAOBIDO1
SCHEMBL1697989 0.77 MEN1 (0.46) TAAR1ACHEMAOAMAOBIDO1
SCHEMBL6434210 0.75 CYP1A2 (0.46) CYP2D6
SCHEMBL564806 0.74 HDAC3 (0.39) MMP13
SCHEMBL29941639 0.74 ACHE (0.55) TAAR1ACHEMAOAMAOBIDO1
SCHEMBL758533 0.74 ACHE (0.55) TAAR1ACHEMAOAMAOBIDO1
SCHEMBL9748614 0.73 TAAR1 (0.41) TAAR1ACHEMAOAMAOBIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
US-8829006-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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 (1 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-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA TAAR1 160/4885ACHE 1436/4885MAOA 700/4885

“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.