SCHEMBL9959955

SCHEMBL9959955

CN1C(=O)CCc2c(Cl)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
AADAT Q8N5Z0 1/20 0.41
POLB P06746 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL10843358 0.90 NOTUM (0.46) NOTUMADRA2ACYP2D6ADRA2BADRA2C
SCHEMBL746562 0.84 NOTUM (0.44) NOTUMADRA2ACYP2D6ADRA2BADRA2C
SCHEMBL21257665 0.81 ADRA2A (0.42) NOTUMADRA2ACYP2D6ADRA2BADRA2C
SCHEMBL424738 0.80 NOTUM (0.47) NOTUMAADATTRPV1
SCHEMBL16110071 0.80 TRPV1 (0.40) TRPV1
SCHEMBL3600670 0.80 TRPV1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24265742 0.79 TRPV1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8557973 0.79 NOTUM (0.49) NOTUMAADATTRPV1
SCHEMBL3600672 0.79 TRPV1 (0.42) CYP2D6ADRA2CADRA1APOLBTRPV1
SCHEMBL9653024 0.79 TRPV1 (0.42) POLBTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773207-B1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-03-07 EP claimed
US-9221809-B2 Aminopyrimidinones as interleukin receptor-associated kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-29 US claimed
US-20140329799-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-11-06 US claimed
EP-3212630-B1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-05-18 EP disclosed
CN-106604917-B Novel dihydroquinoline pyrazolyl compounds as aldosterone synthase inhibitors 豪夫迈·罗氏有限公司 2020-10-09 CN disclosed
EP-3212631-B1 PYRAZOLYL-3,4-DIHYDROQUINOLIN-2-ONE ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN LA ROCHE (CH) 2020-02-12 EP disclosed
EP-3212638-B1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
US-9796726-B2 Dihydroquinoline pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-24 US disclosed
US-9796726-B2 Dihydroquinoline pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-24 US disclosed
US-9796702-B2 Dihydroquinoline pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-24 US disclosed
US-9796702-B2 Dihydroquinoline pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-24 US disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
EP-2655365-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE AstraZeneca AB (SE) 2013-10-30 EP disclosed
WO-2012087229-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
WO-2012087229-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2012-06-28 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 (2 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-20140329799-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS IRAK4, IRAK1, IRAK2 NOTUM 4064/4885ADRA2A 3423/4885CYP2D6 1795/4885
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE GRIN2C, BDNF, GRIN2A NOTUM 1090/4885ADRA2A 727/4885CYP2D6 204/4885

“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.