SCHEMBL1300633

SCHEMBL1300633

O=[C]N1CCc2cc(Br)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 3/20 0.44
HSD17B3 P37058 5/20 0.42
CARM1 Q86X55 2/20 0.42
AKR1C3 P42330 2/20 0.41
ASIC3 Q9UHC3 3/20 0.40
PRMT5 O14744 2/20 0.39
ACACB O00763 1/20 0.38
PARP1 P09874 1/20 0.36
PNMT P11086 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
SCHEMBL28632465 0.83 CARM1 (0.42) ABHD6HSD17B3CARM1AKR1C3ASIC3
SCHEMBL969282 0.76 MAOA (0.52)
SCHEMBL1530957 0.73 CARM1 (0.44) ABHD6HSD17B3CARM1AKR1C3ASIC3
SCHEMBL586327 0.73 MAOA (0.59) HSD17B3CARM1ASIC3
SCHEMBL1530624 0.72 ABHD6 (0.44) ABHD6HSD17B3CARM1AKR1C3ASIC3
SCHEMBL1300634 0.72 PDE4D (0.53) ABHD6HSD17B3CARM1AKR1C3ASIC3
SCHEMBL38665856 0.71 AKR1C3 (0.55) ABHD6HSD17B3CARM1AKR1C3ACACB
SCHEMBL22504152 0.71 AKR1C3 (0.55) ABHD6HSD17B3CARM1AKR1C3ASIC3
SCHEMBL587507 0.71 ABHD6 (0.59) ABHD6HSD17B3CARM1AKR1C3
SCHEMBL15910999 0.71 CTSL (0.40) ABHD6HSD17B3CARM1ASIC3PNMT

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 3 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

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 ABHD6 804/4885HSD17B3 9/4885CARM1 3159/4885

“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.