SCHEMBL2817700

SCHEMBL2817700

COC(=O)c1cncn1C1CCCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.43
TAS1R3 Q7RTX0 4/20 0.43
TAS1R1 Q7RTX1 4/20 0.43
TAS1R2 Q8TE23 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD11B1 P28845 1/20 0.41
CYP19A1 P11511 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
SCHEMBL9493435 1.00 CYP11B2 (0.43) CYP11B2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL9493247 1.00 CYP11B2 (0.43) CYP11B2TAS1R3TAS1R1TAS1R2KMT2A
Ethonam SCHEMBL29386266 0.88 CYP19A1 (0.53) CYP11B2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL2820997 0.88 CYP11B2 (0.41) CYP11B2HSD11B1CYP19A1
SCHEMBL2820348 0.88 CYP11B2 (0.41) CYP11B2HSD11B1CYP19A1
SCHEMBL2820351 0.88 CYP11B2 (0.41) CYP11B2HSD11B1CYP19A1
Ethonam SCHEMBL1852062 0.88 CYP19A1 (0.53) CYP11B2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL9496305 0.87 HSD11B1 (0.41) CYP11B2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL9805000 0.87 CYP11B2 (0.46) CYP11B2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL10483522 0.86 CYP11B2 (0.43) CYP11B2TAS1R3TAS1R1TAS1R2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207563-B1 A METHOD FOR CONTROLLING WEEDS JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-31 EP claimed
EP-0207563-A2 A method for controlling weeds JANSSEN PHARMACEUTICA N.V. (BE) 1987-01-07 EP claimed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
US-5246915-A Herbicides JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-21 US disclosed
EP-0207563-B1 A METHOD FOR CONTROLLING WEEDS JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-31 EP disclosed
EP-0207563-A2 A method for controlling weeds JANSSEN PHARMACEUTICA N.V. (BE) 1987-01-07 EP 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 CYP11B2 6/4885TAS1R3 4475/4885TAS1R1 3914/4885

“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.