SCHEMBL1300944

SCHEMBL1300944

CN([C]=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
MAPT P10636 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OXTR P30559 1/20 0.39
PYCR1 P32322 1/20 0.38
CHKA P35790 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 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
SCHEMBL209159 0.86 KMT2A (0.48) ALDH1A1KDM4EMEN1HTTKMT2A
SCHEMBL5182072 0.83 ALDH1A1 (0.42) ALDH1A1MAPTCYP1A2SMN1; SMN2MEN1
SCHEMBL28260797 0.78 PYCR1 (0.46) ALDH1A1KDM4EUSP2TAAR1MAPT
SCHEMBL10012837 0.77 ALDH1A1 (0.43) ALDH1A1TAAR1MAPTCYP1A1CYP1A2
SCHEMBL2091671 0.75 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12249883 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2TAAR1MAPT
SCHEMBL2778637 0.74 ALDH1A1 (0.61) ALDH1A1KDM4ETAAR1MAPTCYP1A2
SCHEMBL6723671 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2TAAR1MAPT
SCHEMBL6723957 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2TAAR1MAPT
SCHEMBL15125583 0.74 ALDH1A1 (0.61) ALDH1A1KDM4ETAAR1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318355-B1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2018-09-12 EP disclosed
US-8309597-B2 1,1′-diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
US-20110269736-A1 1,1'-Diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2011-11-03 US disclosed
EP-2318355-A1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2011-05-11 EP disclosed
WO-2010010174-A1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 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-20110269736-A1 1,1'-Diadamantyl carboxylic acids, medicaments containing such compounds and their use HSD11B1, HSD17B1, HSD3B1 ALDH1A1 25/4885KDM4E 3358/4885USP2 2279/4885

“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.