SCHEMBL8220342

SCHEMBL8220342

O=C(N[C@H](C(=O)N1CCOCC1)C1CCCCC1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ LIPE Q05469 1/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ PHGDH O43175 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ FAAH O00519 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
SCHEMBL5128339 0.79 MAPT (0.47) MAPTCYP1A2CYP2D6KDM4ERAB9A
SCHEMBL3950611 0.79 MAPT (0.47) MAPTCYP1A2CYP2D6KDM4ERAB9A
SCHEMBL2162724 0.75 CTSS (0.48) MAPTCYP1A2CYP2D6RAB9APOLB
SCHEMBL12196254 0.75 CTSS (0.48) MAPTCYP1A2CYP2D6RAB9APOLB
SCHEMBL14139290 0.75 CTSS (0.49) MAPTCYP1A2CYP2D6KDM4ERAB9A
SCHEMBL2162730 0.75 CTSS (0.48) MAPTCYP1A2CYP2D6RAB9APOLB
SCHEMBL1179999 0.75 LIPE (0.67) KDM4ERAB9APOLBLIPEAKR1C3
SCHEMBL12600876 0.74 F13A1 (0.41) MAPTCYP1A2CYP2D6
SCHEMBL1115881 0.73 CYP1A2 (0.64) CYP1A2CYP2D6KDM4ERAB9APOLB
SCHEMBL27651649 0.73 LIPE (0.50) MAPTKDM4ERAB9APOLBLIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007789-B1 Spirocyclic HCV/HIV inhibitors and their uses NOVARTIS AG (CH) 2015-05-20 — — EP disclosed
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 — — US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 — — US disclosed
EP-2518079-A2 HCV/HIV inhibitors and their uses Novartis AG (CH) 2012-10-31 — — EP disclosed
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 — — US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 — — US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 — — US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 — — US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 — — US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 — — US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 — — US disclosed
WO-2007133865-A2 HCV/HIV INHIBITORS AN THEIR USES NOVARTIS AG (CH) 2007-11-22 — — 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 (4 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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 MAPT 1444/4885CYP1A2 111/4885CYP2D6 202/4885
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A MAPT 1378/4885CYP1A2 42/4885CYP2D6 114/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 MAPT 1444/4885CYP1A2 111/4885CYP2D6 202/4885
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 MAPT 1444/4885CYP1A2 111/4885CYP2D6 202/4885

“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.

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