SCHEMBL5075664

SCHEMBL5075664

NC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.52
MAOB P27338 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ACP3 P15309 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
IDO1 P14902 2/20 0.46
ATM Q13315 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
NR3C2 P08235 1/20 0.45
SMYD3 Q9H7B4 1/20 0.45
HSD11B1 P28845 1/20 0.45

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
SCHEMBL5526973 0.93 SLC6A4 (0.50) EPHX1MAOBMEN1KMT2AACP3
SCHEMBL5275909 0.84 HSD11B1 (0.43) EPHX1IDO1HSD11B1
SCHEMBL20342735 0.77 HTR2A (0.43) EPHX1MAOBMEN1KMT2AACP3
SCHEMBL2470610 0.77 SSTR1 (0.49) MEN1KMT2ATAAR1IDO1HSD11B1
SCHEMBL2473067 0.76 TAAR1 (0.54) EPHX1MAOBACP3TAAR1IDO1
SCHEMBL30589493 0.76 MAOA (0.50) EPHX1MAOBHSD11B1
SCHEMBL2469547 0.76 MAOA (0.50) EPHX1MAOBHSD11B1
SCHEMBL5534706 0.75 SLC6A3 (0.45) MAOBMEN1KMT2ATAAR1IDO1
SCHEMBL5392708 0.75 MEN1 (0.46) MAOBMEN1KMT2ATAAR1IDO1
SCHEMBL30496803 0.74 EPHX1 (0.59) EPHX1MAOBMEN1KMT2AACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649052-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-12-18 US disclosed
US-7427613-B2 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-23 US disclosed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE EPHX1 152/4885MAOB 579/4885MEN1 2389/4885
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES REN, AGTR1, ACE EPHX1 152/4885MAOB 579/4885MEN1 2389/4885

“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.