SCHEMBL13232393

SCHEMBL13232393

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 9/20 0.53
▸ NPY1R P25929 2/20 0.53
▸ NPY4R P50391 2/20 0.53
▸ NPY5R Q15761 2/20 0.53
▸ KLK5 Q9Y337 2/20 0.51
▸ CTNNB1 P35222 1/20 0.49
▸ AGTR2 P50052 2/20 0.48
▸ APLNR P35414 1/20 0.47
▸ AGTR1 P30556 1/20 0.47
▸ PRLHR P49683 1/20 0.47
▸ NPFFR2 Q9Y5X5 1/20 0.47

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
SCHEMBL13262661 0.94 NPY2R (0.51) NPY2RNPY1RNPY4RNPY5RKLK5
SCHEMBL13197591 0.80 AGTR2 (0.53) NPY2RKLK5CTNNB1AGTR2AGTR1
SCHEMBL18872896 0.74 AGTR1 (0.68) NPY2RNPY1RNPY4RNPY5RAGTR2
SCHEMBL18872894 0.74 AGTR1 (0.68) NPY2RNPY1RNPY4RNPY5RAGTR2
Trv-120027 SCHEMBL29382211 0.73 AGTR1 (0.73) NPY2RNPY1RNPY4RNPY5RAGTR2
Angiotensin-Ii SCHEMBL29362121 0.73 AGTR2 (0.76) NPY2RNPY1RNPY4RNPY5RAGTR2
Angiotensin Ii SCHEMBL2183118 0.72 AGTR2 (0.83) AGTR2AGTR1
Angiotensin Ii SCHEMBL13232382 0.72 AGTR2 (0.84) AGTR2AGTR1
Angiotensin Ii SCHEMBL2566771 0.72 AGTR2 (0.84) AGTR2AGTR1
Angiotensin Ii SCHEMBL1189 0.72 AGTR2 (0.84) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563586-B2 1,(3,)5-substituted imidazoles, their use in the treatment of hypertension and methods for their preparation ELDRUG S.A. (GR) 2013-10-22 — — US disclosed
US-8563586-B2 1,(3,)5-substituted imidazoles, their use in the treatment of hypertension and methods for their preparation ELDRUG S.A. (GR) 2013-10-22 — — US disclosed
US-20100166837-A1 1,(3,)5-SUBSTITUTED IMIDAZOLES, THEIR USE IN THE TREATMENT OF HYPERTENSION AND METHODS FOR THEIR PREPARATION ELDRUG S.A. (GR) 2010-07-01 — — 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 (1 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-20100166837-A1 1,(3,)5-SUBSTITUTED IMIDAZOLES, THEIR USE IN THE TREATMENT OF HYPERTENSION AND METHODS FOR THEIR PREPARATION AGTR1, AGTR2, AGT NPY2R 666/4885NPY1R 391/4885NPY4R 944/4885

“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.

Send feedback