SCHEMBL16664723

SCHEMBL16664723

CCOC(=O)/C=C1\CCCc2c(Br)cncc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
NLRP3 Q96P20 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
ESR2 Q92731 1/20 0.33
CTDSP1 Q9GZU7 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ACHE P22303 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL16664724 1.00 CYP11B1 (0.34) CYP11B1CYP11B2NLRP3HPGDHSD17B10
SCHEMBL16653824 0.80 RXRA (0.33) HSD17B10
SCHEMBL16664711 0.75 CYP11B1 (0.61) CYP11B1CYP11B2
SCHEMBL16664713 0.75 CYP11B1 (0.61) CYP11B1CYP11B2
SCHEMBL6784162 0.74 SMN1; SMN2 (0.44) NLRP3HPGDHSD17B10MAPK1ESR2
SCHEMBL24662339 0.73 CTDSP1 (0.43) HPGDHSD17B10MAPK1ESR2CTDSP1
SCHEMBL10529551 0.71 RXRA (0.41) CYP11B1CYP11B2NLRP3MAPK1ESR2
SCHEMBL7916179 0.71 RXRA (0.41) CYP11B1CYP11B2NLRP3MAPK1ESR2
SCHEMBL10529557 0.71 RXRA (0.41) CYP11B1CYP11B2NLRP3MAPK1ESR2
SCHEMBL13441754 0.70 CTDSP1 (0.54) HPGDMAPK1CTDSP1TDP1LMNA

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-3057941-B1 NEW PHENYL-DIHYDROPYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
US-9636339-B2 Phenyl-dihydropyridine derivatives as aldosterone synthase inhibitors HOFFMAN-LA ROCHE INC. (US) 2017-05-02 US disclosed
US-9636339-B2 Phenyl-dihydropyridine derivatives as aldosterone synthase inhibitors HOFFMAN-LA ROCHE INC. (US) 2017-05-02 US disclosed
US-20160229807-A1 NEW PHENYL-DIHYDROPYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-08-11 US disclosed
US-20160229807-A1 NEW PHENYL-DIHYDROPYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-08-11 US disclosed
WO-2015055604-A1 NEW PHENYL-DIHYDROPYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-23 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 (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-20160229807-A1 NEW PHENYL-DIHYDROPYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS REN, CYP21A2, AGTR1 CYP11B1 7/4885CYP11B2 15/4885NLRP3 1308/4885

“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.