SCHEMBL3070274

SCHEMBL3070274

NC(=O)[C@@H]1CCCC[C@H]1N(CCCC1CCCCC1)C(=O)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
EPHX1 P07099 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.41
KLK7 P49862 2/20 0.41
CASR P41180 1/20 0.39
NPY5R Q15761 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
UBE2M P61081 3/20 0.38
DCUN1D1 Q96GG9 3/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3070275 1.00 EPHX2 (0.44) EPHX2EPHX1ATMALDH1A1KLK7
SCHEMBL3070270 1.00 EPHX2 (0.44) EPHX2EPHX1ATMALDH1A1KLK7
SCHEMBL3064874 0.77 CASR (0.48) EPHX2EPHX1ATMALDH1A1KLK7
SCHEMBL3072576 0.76 KLK7 (0.47) EPHX2EPHX1ATMALDH1A1KLK7
SCHEMBL3052471 0.73 CASR (0.53) EPHX2EPHX1ATMALDH1A1KLK7
SCHEMBL4017006 0.72 HDAC6 (0.52) EPHX2EPHX1ATMKLK7CASR
SCHEMBL13091919 0.70 CASR (0.48) EPHX2EPHX1ATMKLK7CASR
SCHEMBL28421952 0.69 EPHX2 (0.68) EPHX2EPHX1ALDH1A1KLK7MEN1
SCHEMBL28424785 0.68 MEN1 (0.67) EPHX2EPHX1ALDH1A1KLK7MEN1
SCHEMBL4817710 0.68 ATM (0.55) EPHX2EPHX1ATMALDH1A1NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261796-A1 Use of Novel Compounds for IBD Treatment FERRING B.V. (NL) 2010-10-14 US claimed
US-20100105777-A1 AMIDE OR THIOAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PAIN CARA THERAPEUTICS, INC. (US) 2010-04-29 US claimed
US-7504538-B2 Amide or thioamide derivatives and their use in the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-03-17 US claimed
US-20070197653-A1 Amide or thioamide derivatives and their use in the treatment of pain CARA THERAPEUTICS, INC. (US) 2007-08-23 US claimed
US-20100261796-A1 Use of Novel Compounds for IBD Treatment FERRING B.V. (NL) 2010-10-14 US disclosed
US-20100105777-A1 AMIDE OR THIOAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PAIN CARA THERAPEUTICS, INC. (US) 2010-04-29 US disclosed
US-7504538-B2 Amide or thioamide derivatives and their use in the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-03-17 US disclosed
US-20070197653-A1 Amide or thioamide derivatives and their use in the treatment of pain CARA THERAPEUTICS, INC. (US) 2007-08-23 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 (3 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-20100261796-A1 Use of Novel Compounds for IBD Treatment TPMT, FABP2, SLC10A2 EPHX2 1218/4885EPHX1 1043/4885ATM 4358/4885
US-20070197653-A1 Amide or thioamide derivatives and their use in the treatment of pain TRPA1, TRPV1, TST EPHX2 1131/4885EPHX1 868/4885ATM 3579/4885
US-20100105777-A1 AMIDE OR THIOAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PAIN TRPA1, TRPV1, TST EPHX2 1131/4885EPHX1 868/4885ATM 3579/4885

“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.