SCHEMBL843010

SCHEMBL843010

COC(=O)c1cncn1C1c2ccccc2N(S(=O)(=O)c2ccccc2)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
MAPK1 P28482 1/20 0.37
HTR6 P50406 2/20 0.35
MMP2 P08253 6/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ANPEP P15144 1/20 0.32
CTSK P43235 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 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
SCHEMBL842507 0.82 CACNA1H (0.41) CACNA1HCACNA1IMAPK1HTR6CYP3A4
SCHEMBL842521 0.81 CYP11B2 (0.43) CYP11B2MAPK1PTGDR2
SCHEMBL842330 0.80 CYP11B2 (0.42) CYP11B2MAPK1MEN1KMT2A
SCHEMBL29408788 0.75 CYP11B2 (0.47) CYP11B2MAPK1CYP3A4CYP2C9CYP2C19
SCHEMBL9496956 0.75 CYP11B2 (0.47) CYP11B2MAPK1CYP3A4CYP2C9CYP2C19
SCHEMBL9493756 0.75 CYP11B2 (0.47) CYP11B2MAPK1CYP3A4CYP2C9CYP2C19
SCHEMBL68341 0.75 CYP11B2 (0.47) CYP11B2MAPK1CYP3A4CYP2C9CYP2C19
SCHEMBL843457 0.75 CYP11B2 (0.41) CYP11B2CACNA1HCACNA1IMAPK1CTSK
SCHEMBL843562 0.75 KMT2A (0.43) CYP11B2HTR6MEN1KMT2A
SCHEMBL2820670 0.74 CYP11B2 (0.46) CYP11B2MAPK1ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
EP-2121652-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS Novartis AG (CH) 2009-11-25 EP disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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-20100093711-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP11B2 CYP11B2 3/4885CACNA1H 3046/4885CACNA1I 2647/4885

“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.