SCHEMBL2242592

SCHEMBL2242592

c1ccc(C[N]C2CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TRPA1 O75762 1/20 0.41
CYP3A4 P08684 1/20 0.41
MIF P14174 1/20 0.41
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GBA1 P04062 1/20 0.38
BCHE P06276 1/20 0.38
NOS2 P35228 1/20 0.38
CALM1 P0DP23 1/20 0.38

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
SCHEMBL2241838 0.91 GRIN1 (0.42) ALDH1A1HPGDTRPA1CYP3A4MIF
SCHEMBL1796446 0.89 GRIN1 (0.45) ALDH1A1HPGDTRPA1CYP3A4MIF
SCHEMBL3536653 0.86 GBA1 (0.53) GBA1
SCHEMBL5387078 0.82 ALDH1A1 (0.39) ALDH1A1HPGDTRPA1CYP3A4MIF
SCHEMBL5319755 0.78 GBA1 (0.46) GBA1
SCHEMBL10423176 0.70 EPHX2 (0.48) ALDH1A1HPGDCYP3A4ALOX12GRIN2B
SCHEMBL1653 0.70 ALDH1A1 (0.55) ALDH1A1HPGDTRPA1CYP3A4MIF
SCHEMBL1734492 0.70 OPRM1 (0.44) TRPA1MIFHRH3
SCHEMBL620782 0.69
SCHEMBL4156668 0.68 TRPA1 (0.43) ALDH1A1HPGDTRPA1CYP3A4MIF

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4550162-A Process for the manufacture of enol derivatives CIBA-GEIGY CORPORATION (US) 1985-10-29 US claimed
US-4434287-A Cephalosporin derivatives CIBA-GEIGY CORPORATION (US) 1984-02-28 US claimed
US-4319027-A Process for the manufacture of ceohem enol derivatives CIBA-GEIGY CORPORATION (US) 1982-03-09 US claimed
US-4293462-A Process for the manufacture of enol derivatives, and intermediates CIBA-GEIGY CORPORATION (US) 1981-10-06 US claimed
US-4110533-A PROCESS FOR THE MANUFACTURE OF ENOL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-08-29 US claimed
US-9150545-B2 Carboxamide compounds and their use as calpain inhibitors V AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-06 US disclosed
US-20150065477-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V AbbVie Deutschland GmbH & Co. KG (DE) 2015-03-05 US disclosed
CN-104364247-A Carboxamide compounds and their use as calpain inhibitors V ABBVIE DEUTSCHLAND 2015-02-18 CN disclosed
EP-2834230-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V AbbVie Deutschland GmbH & Co KG (DE) 2015-02-11 EP disclosed
CN-102482256-B N-substituted cyclic amino derivatives DAINIPPON SUMITOMO PHARMA CO 2014-11-26 CN disclosed
CN-101952280-B Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO 2014-04-23 CN disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-4579684-A Process for the manufacture of enol derivatives CIBA-GEIGY CORPORATION (US) 1986-04-01 US disclosed
US-4550162-A Process for the manufacture of enol derivatives CIBA-GEIGY CORPORATION (US) 1985-10-29 US disclosed
US-4434287-A Cephalosporin derivatives CIBA-GEIGY CORPORATION (US) 1984-02-28 US disclosed
US-4319027-A Process for the manufacture of ceohem enol derivatives CIBA-GEIGY CORPORATION (US) 1982-03-09 US disclosed
US-4313945-A 7-Thiazolyl-acetamido-cephem derivatives with terminal aminocarboxylic acid grouping CIBA-GEIGY CORPORATION (US) 1982-02-02 US disclosed
US-4293462-A Process for the manufacture of enol derivatives, and intermediates CIBA-GEIGY CORPORATION (US) 1981-10-06 US disclosed
EP-0016296-A1 Cephalosporin derivatives, process for their preparation, compositions containing them, and intermediates and their preparation CIBA-GEIGY AG (CH) 1980-10-01 EP disclosed
US-4110533-A PROCESS FOR THE MANUFACTURE OF ENOL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-08-29 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-20150065477-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V CAPN1, CAPN2, CAPNS1 ALDH1A1 2713/4885HPGD 2721/4885TRPA1 457/4885

“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.