SCHEMBL1300435

SCHEMBL1300435

O=[C]N1CCc2ccccc2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.46
MAOB P27338 2/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
NOTUM Q6P988 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.39
CDK4 P11802 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL969282 0.89 MAOA (0.52) MAOAMAOBDRD2DRD1DRD4
SCHEMBL1301327 0.75 NOTUM (0.43) MAOAMAOBNOTUMMEN1KMT2A
SCHEMBL2327219 0.71 MAOA (0.52) MAOAMAOBDRD2DRD1DRD4
SCHEMBL30043742 0.71 MAOA (0.52) MAOAMAOBDRD2DRD1DRD4
SCHEMBL14279432 0.71 MAOA (0.52) MAOAMAOBDRD2DRD1DRD4
SCHEMBL223607 0.71 ALDH1A1 (0.48) NOTUMTSHRMEN1KMT2AMAPT
SCHEMBL17461304 0.69 MAOA (0.54) MAOAMAOBDRD2DRD1DRD4
SCHEMBL1055704 0.69
SCHEMBL164206 0.69 DRD1 (0.85) MAOAMAOBDRD2DRD1DRD4
SCHEMBL5046904 0.69 CYP2A6 (0.50) MAOAMAOBDRD2DRD1DRD4

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 6 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 claimed
US-8309597-B2 1,1′-diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US claimed
US-20110269736-A1 1,1'-Diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2011-11-03 US claimed
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

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 MAOA 457/4885MAOB 586/4885DRD2 2409/4885

“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.