SCHEMBL1345737

SCHEMBL1345737

N=C(N)NCCC[C@H](NC1CC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALB P02768 1/20 0.35
▸ C3AR1 Q16581 1/20 0.34
▸ CPB2 Q96IY4 4/20 0.33
▸ CPN1 P15169 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FOLH1 Q04609 1/20 0.32
▸ NPY4R P50391 3/20 0.31
▸ NPY1R P25929 2/20 0.31
▸ NPY2R P49146 2/20 0.31
▸ NPY5R Q15761 2/20 0.31
▸ OTC P00480 1/20 0.31

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
SCHEMBL7628167 1.00 EPHX2 (0.37) EPHX2SMN1; SMN2ALBC3AR1CPB2
SCHEMBL27632265 0.93 SMN1; SMN2 (0.45) EPHX2SMN1; SMN2CPB2
SCHEMBL29827128 0.82 SMN1; SMN2 (0.42) EPHX2SMN1; SMN2C3AR1CPB2MEN1
SCHEMBL30068909 0.80 ALOX15 (0.39) SMN1; SMN2C3AR1ALOX15ITGB3ITGA2B
SCHEMBL29836396 0.80 ALOX15 (0.39) SMN1; SMN2C3AR1ALOX15ITGB3ITGA2B
SCHEMBL466294 0.79 C3AR1 (0.40) EPHX2SMN1; SMN2C3AR1ALOX15ITGB3
SCHEMBL8164682 0.79 C3AR1 (0.40) EPHX2SMN1; SMN2C3AR1ALOX15ITGB3
SCHEMBL7196910 0.79 GNPAT (0.46) SMN1; SMN2C3AR1ALOX15ITGB3ITGA2B
SCHEMBL408774 0.79 GNPAT (0.46) SMN1; SMN2C3AR1ALOX15ITGB3ITGA2B
SCHEMBL12971304 0.79 C3AR1 (0.43) EPHX2SMN1; SMN2C3AR1ALOX15ITGB3

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1660433-B Combination of treating and/or preventing hemorrhoid ZHENJUN WANG 2011-09-07 — — CN claimed
CN-1660428-B New application of synthase inhibitor of nitric in use for treating hemorrhoid ZHENJUN WANG 2011-09-07 — — CN claimed
US-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL Biomedica PLC c/o Finance Division University College of London (GB) 2009-03-12 — — US claimed
CN-1660428-A New application of synthase inhibitor of nitric in use for treating hemorrhoid WANG ZHENJUN (CN) 2005-08-31 — — CN claimed
CN-1660433-A Combination of treating and/or preventing hemorrhoid WANG ZHENJUN (CN) 2005-08-31 — — CN claimed
US-20020081277-A1 Methods and compositions for enhancing the immunostimulatory effect of interleukin-12 NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR, NIH 2002-06-27 — — US claimed
US-6375944-B1 Methods and compositions for enhancing the immunostimulatory effect of interleukin-12 THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY 2002-04-23 — — US claimed
WO-1994016729-A1 TARGETED NITRIC OXIDE PATHWAY OR NITRIC OXIDE SYNTHASE MODULATION NEORX CORPORATION (US) 1994-08-04 — — WO claimed
EP-2308510-B1 Agent for regeneration and/or protection of nerves ONO PHARMACEUTICAL CO (JP) 2016-03-16 — — EP disclosed
US-8870845-B2 Method for alleviating condition of spinal canal stenosis by local administration of medicine TERUMO KABUSHIKI KAISHA (JP) 2014-10-28 — — US disclosed
US-20130143934-A1 AGENT FOR REGENERATION AND/OR PROTECTION OF NERVES ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-06 — — US disclosed
EP-1828109-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL BUSINESS PLC (GB) 2013-06-05 — — EP disclosed
US-8404858-B2 Agent for regeneration and/or protection of nerves ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-26 — — US disclosed
EP-2494990-A1 Agent for regeneration and/or protection of nerves ONO PHARMACEUTICAL CO., LTD. (JP) 2012-09-05 — — EP disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 — — CN disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 — — EP disclosed
EP-0776886-A1 AMINO ACID DERIVATIVE HAVING NITROGEN MONOXIDE SYNTHETASE INHIBITOR ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-06-04 — — EP disclosed
EP-0754023-A1 INHIBITION OF HAIR GROWTH HANDELMAN, Joseph H. (US) 1997-01-22 — — EP disclosed
WO-1995024884-A1 INHIBITION OF HAIR GROWTH HANDELMAN, JOSEPH, H. (US) 1995-09-21 — — WO disclosed
WO-1994016729-A1 TARGETED NITRIC OXIDE PATHWAY OR NITRIC OXIDE SYNTHASE MODULATION NEORX CORPORATION (US) 1994-08-04 — — 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 (2 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-20130143934-A1 AGENT FOR REGENERATION AND/OR PROTECTION OF NERVES PTGER3, PTGER2, PTGER1 EPHX2 188/4885SMN1; SMN2 14/4885ALB 4701/4885
US-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH DDAH1, DOHH, IMPDH1 EPHX2 923/4885SMN1; SMN2 1730/4885ALB 3495/4885

“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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