SCHEMBL842376

SCHEMBL842376

O=C(c1ccccc1)N1CCC(O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.54
AVPR1A P37288 5/20 0.54
OXTR P30559 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
CACNA1G O43497 1/20 0.44
ACHE P22303 1/20 0.44
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL28001631 0.85 AVPR2 (0.43) AVPR2AVPR1AOXTRALDH1A1HPGD
SCHEMBL4128931 0.85 RAB9A (0.61) AVPR2AVPR1AOXTRALDH1A1HPGD
SCHEMBL4129674 0.82 TSHR (0.61) ALDH1A1HPGDACHEHTTKMT2A
SCHEMBL6418776 0.79 PDE4A (0.61) AVPR2AVPR1AOXTRALDH1A1ACHE
SCHEMBL9220428 0.79 ALDH1A1 (0.59) ALDH1A1HPGDACHEKMT2ASMN1; SMN2
SCHEMBL6971694 0.79 TDP1 (0.59) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL13119088 0.78 AVPR2 (0.51) AVPR2AVPR1AOXTRALDH1A1HPGD
SCHEMBL7349562 0.77 AVPR2 (0.60) AVPR2AVPR1AOXTR
SCHEMBL5394931 0.77 PTGDR2 (0.63) HTTKMT2ASMN1; SMN2
SCHEMBL6972459 0.76 ALDH1A1 (0.61) AVPR2AVPR1AOXTRALDH1A1HPGD

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 10 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
CN-101605776-A 4-imidazolyl-1, 2,3, 4-tetrahydroquinoline derivatives and their use as aldosterone/11-beta-hydroxylase inhibitors NOVARTIS AG (CH) 2009-12-16 CN 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
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 AVPR2 380/4885AVPR1A 444/4885OXTR 548/4885

“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.