SCHEMBL4955112

SCHEMBL4955112

O=C(NCCCc1ccccc1)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 1.00
EPHX2 P34913 8/20 0.84
NPC1 O15118 2/20 0.84
RAB9A P51151 2/20 0.84
SMN1; SMN2 Q16637 2/20 0.84
TP53 P04637 1/20 0.84
TSHR P16473 1/20 0.84
KMT2A Q03164 2/20 0.71
HPGD P15428 1/20 0.69
OPRM1 P35372 2/20 0.65
OPRL1 P41146 2/20 0.65
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61

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
SCHEMBL12196139 0.96 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL12196137 0.91 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2752153 0.90 EPHX1 (0.97) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL22315840 0.83 EPHX1 (0.78) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL22315365 0.82 EPHX1 (0.76) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL22315366 0.82 EPHX1 (0.76) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL22289764 0.82 EPHX1 (0.76) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL17117397 0.82 EPHX1 (0.76) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL22289723 0.82 EPHX1 (0.76) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL6436349 0.82 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
US-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-06 US disclosed
US-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-06 US disclosed
US-7405194-B2 Therapeutic agents and methods of use thereof for the treatment of melanoma PRAECIS PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-7268111-B2 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-20070117758-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 US disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 US disclosed
US-7157420-B2 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS, INC. (US) 2007-01-02 US disclosed
US-7037890-B2 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS, INC. (US) 2006-05-02 US disclosed
US-20060069028-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS, INC. (US) 2006-03-30 US disclosed
US-6919307-B2 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS, INC. (US) 2005-07-19 US disclosed
US-20050130903-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis GLAXOSMITHKLINE LLC 2005-06-16 US disclosed
EP-1330447-A2 PEPTIDES AS MET-AP2 INHIBITORS Praecis Pharmaceuticals Incorporated (US) 2003-07-30 EP disclosed
US-20030109671-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS INC. 2003-06-12 US disclosed
US-6548477-B1 A carbamate or urea containing comopound is useful to treat angiogeneisis; methionine aminopeptidase 2 (MetAP-2) coupled to a peptide prevents the metabolic degradation of the angiogenesis inhibitor compound PRAECIS PHARMACEUTICALS INC. 2003-04-15 US disclosed
US-20020193298-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS INC. 2002-12-19 US disclosed
US-20020151493-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS INC. 2002-10-17 US disclosed
WO-2002042295-A2 PEPTIDES AS MET-AP2 INHIBITORS PRAECIS PHARMACEUTICALS INC. (US) 2002-05-30 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 (8 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-20030109671-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis METAP2, METAP1, ADM2 EPHX1 2135/4885EPHX2 898/4885NPC1 2359/4885
US-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION EPHX1, EPHX2, NCEH1 EPHX1 1/4885EPHX2 2/4885NPC1 2648/4885
US-20020193298-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis METAP2, METAP1, ADM2 EPHX1 2135/4885EPHX2 898/4885NPC1 2359/4885
US-20050130903-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis METAP2, METAP1, ADM2 EPHX1 2135/4885EPHX2 898/4885NPC1 2359/4885
US-20070117758-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis METAP2, METAP1, ADM2 EPHX1 2135/4885EPHX2 898/4885NPC1 2359/4885
US-20060069028-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis METAP2, METAP1, ADM2 EPHX1 2135/4885EPHX2 898/4885NPC1 2359/4885
US-20020151493-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis METAP2, METAP1, ADM2 EPHX1 2135/4885EPHX2 898/4885NPC1 2359/4885
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION EPHX1, LTA4H, PTGS1 EPHX1 1/4885EPHX2 4/4885NPC1 3309/4885

“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.