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SCHEMBL843207

SCHEMBL843207

COC(=O)c1cncn1C1c2ccccc2N(C(=O)c2cccc(OC)c2)CC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ELANE P08246 1/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ GFER P55789 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36

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
SCHEMBL842521 0.90 CYP11B2 (0.43) SMN1; SMN2TSHRELANECYP11B2PTGDR2
SCHEMBL842330 0.82 CYP11B2 (0.42) TSHRCYP11B2CYP11B1KMT2AMEN1
SCHEMBL843457 0.77 CYP11B2 (0.41) TSHRCYP11B2BCHEHPGDHSD17B10
SCHEMBL843010 0.74 CYP11B2 (0.40) CYP11B2PTGDR2KMT2AMEN1
SCHEMBL9496956 0.72 CYP11B2 (0.47) TSHRCYP11B2CYP11B1HPGDMAPT
SCHEMBL9493756 0.72 CYP11B2 (0.47) TSHRCYP11B2CYP11B1HPGDMAPT
SCHEMBL68341 0.72 CYP11B2 (0.47) TSHRCYP11B2CYP11B1HPGDMAPT
SCHEMBL842772 0.72 ALDH1A1 (0.41) SMN1; SMN2HPGDKMT2AALDH1A1MEN1
SCHEMBL2818745 0.72 CYP11B2 (0.41) SMN1; SMN2TSHRCYP11B2HPGDKMT2A
SCHEMBL2818749 0.72 CYP11B2 (0.41) SMN1; SMN2TSHRCYP11B2HPGDKMT2A

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 SMN1; SMN2 4664/4885TSHR 4074/4885ELANE 2669/4885

“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.