SCHEMBL10137836

SCHEMBL10137836

CC(C)CCCNC(=O)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.66
▸ GAA P10253 1/20 0.66
▸ ATM Q13315 1/20 0.64
▸ TRPV1 Q8NER1 3/20 0.62
▸ CNR1 P21554 3/20 0.62
▸ LMNA P02545 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ POLB P06746 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ CNR2 P34972 3/20 0.51
▸ NAMPT P43490 1/20 0.51

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
SCHEMBL10174281 0.95 TRPV1 (0.65) HPGDGAAATMTRPV1CNR1
SCHEMBL10789439 0.90 CNR1 (0.71) HPGDGAAATMTRPV1CNR1
SCHEMBL10585628 0.84 TRPV1 (0.83) HPGDGAAATMTRPV1CNR1
SCHEMBL2036620 0.81 HPGD (0.73) HPGDGAAATMTRPV1CNR1
SCHEMBL19233016 0.81 LMNA (0.53) HPGDGAALMNAPKMALDH1A1
SCHEMBL15726490 0.81 LMNA (0.46) HPGDGAAATMTRPV1CNR1
SCHEMBL1516136 0.80 HPGD (0.71) HPGDGAAATMTRPV1ALDH1A1
SCHEMBL7351625 0.80 HPGD (0.72) HPGDGAAATMTRPV1CNR1
SCHEMBL6289077 0.80 HPGD (0.74) HPGDGAAATMTRPV1CNR1
SCHEMBL13209218 0.80 GAA (1.00) HPGDGAAATMTRPV1LMNA

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-20180154332-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION 2018-06-07 — — US disclosed
US-20140142044-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE The United States of America, as represented by the Secretary, Department of Health & Human Servic (US) 2014-05-22 — — US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 — — US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 — — US disclosed
WO-2010107739-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 — — WO disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 — — US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 — — US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 — — US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 — — US 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HPGD 2426/4885GAA 725/4885ATM 3799/4885
US-20140142044-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PLK4, PLK3 HPGD 3185/4885GAA 2159/4885ATM 1538/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP HPGD 2426/4885GAA 725/4885ATM 3799/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HPGD 2426/4885GAA 725/4885ATM 3799/4885

“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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