SCHEMBL16153758

SCHEMBL16153758

N[C@@H](CCS)Cc1cccccc(C[C@@H](N)CCS)ccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.67
EPHX1 P07099 1/20 0.64
SLC6A2 P23975 2/20 0.54
TAAR1 Q96RJ0 2/20 0.54
MAOA P21397 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
CYP2A6 P11509 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
LTA4H P09960 1/20 0.49
MMP2 P08253 1/20 0.46
SCN4A P35499 1/20 0.46
CYP2D6 P10635 1/20 0.45
ENPEP Q07075 1/20 0.45
FOLH1 Q04609 1/20 0.44

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
SCHEMBL8736142 1.00 ANPEP (0.67) ANPEPEPHX1SLC6A2TAAR1MAOA
SCHEMBL859527 0.98 ANPEP (0.69) ANPEPEPHX1SLC6A2TAAR1MAOA
SCHEMBL16155879 0.98 ANPEP (0.69) ANPEPEPHX1SLC6A2TAAR1MAOA
SCHEMBL902633 0.84 EPHX1 (0.80) ANPEPEPHX1SLC6A2TAAR1MAOA
SCHEMBL15476621 0.84 EPHX1 (0.80) ANPEPEPHX1SLC6A2TAAR1MAOA
SCHEMBL902607 0.84 EPHX1 (0.80) ANPEPEPHX1SLC6A2TAAR1MAOA
SCHEMBL2736189 0.84 EPHX1 (0.80) ANPEPEPHX1SLC6A2TAAR1MAOA
SCHEMBL18034347 0.84 EPHX1 (0.80) ANPEPEPHX1SLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL16279669 0.82 EPHX1 (0.76) ANPEPEPHX1SLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL16279671 0.82 EPHX1 (0.76) ANPEPEPHX1SLC6A2TAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012485-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-21 US disclosed
US-20140303222-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-09 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-20140303222-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ANPEP 194/4885EPHX1 1634/4885SLC6A2 244/4885

“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.