SCHEMBL1928796

SCHEMBL1928796

N[C@@H](CS)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 1.00
EPHX1 P07099 1/20 0.73
LTA4H P09960 1/20 0.68
ENPEP Q07075 3/20 0.60
MMP2 P08253 1/20 0.54
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

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
SCHEMBL6805553 1.00 ANPEP (1.00) ANPEPEPHX1LTA4HENPEPMMP2
SCHEMBL859554 1.00 ANPEP (1.00) ANPEPEPHX1LTA4HENPEPMMP2
Hydrochloric Acid SCHEMBL5409548 0.98 ANPEP (0.95) ANPEPEPHX1LTA4HENPEPMMP2
SCHEMBL28656 0.85 EPHX1 (1.00) ANPEPEPHX1MMP2SLC6A2TAAR1
SCHEMBL1893281 0.82 LTA4H (1.00) ANPEPLTA4HSLC6A2MAOASLC6A3
SCHEMBL29399745 0.82 LTA4H (1.00) ANPEPLTA4HSLC6A2MAOASLC6A3
SCHEMBL1893279 0.82 LTA4H (1.00) ANPEPLTA4HSLC6A2MAOASLC6A3
Hydrochloric Acid SCHEMBL9402300 0.82 EPHX1 (0.94) ANPEPEPHX1MMP2SLC6A2TAAR1
SCHEMBL16155879 0.82 ANPEP (0.69) ANPEPEPHX1LTA4HMMP2SLC6A2
SCHEMBL859527 0.82 ANPEP (0.69) ANPEPEPHX1LTA4HMMP2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210093603-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-04-01 US disclosed
EP-2451782-B1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-11-09 EP disclosed
US-9273008-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 US disclosed
US-9198899-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-01 US disclosed
US-9198899-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-01 US disclosed
US-9198899-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-01 US disclosed
US-9150514-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-06 US disclosed
US-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-07-09 US disclosed
US-9012485-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-21 US disclosed
US-20150065543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-05 US disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 US disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 US disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 US disclosed
WO-2008153857-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-12-18 WO disclosed
WO-2008153857-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-12-18 WO disclosed
WO-2008133896-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-11-06 WO disclosed
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure THERAVANCE, INC. 2008-10-30 US disclosed
US-20040053962-A1 Methods for inhibiting proliferation and inducing apoptosis in cancer cells CREIGHTON UNIVERSITY 2004-03-18 US disclosed
US-5455271-A Using aromatic amine derivitives as mosquito insecticide THE SCRIPPS RESEARCH INSTITUTE (US) 1995-10-03 US disclosed
WO-1994000420-A1 NOVEL TIGHT-BINDING INHIBITORS OF LEUKOTRIENE A4 HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-06 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 (6 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-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure AGTR2, REN, AGTR1 ANPEP 38/4885EPHX1 1336/4885LTA4H 1882/4885
US-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ANPEP 194/4885EPHX1 1634/4885LTA4H 1363/4885
US-20210093603-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF DNPEP, CPS1, GLS ANPEP 101/4885EPHX1 2559/4885LTA4H 1406/4885
US-20040053962-A1 Methods for inhibiting proliferation and inducing apoptosis in cancer cells LTB4R, LTB4R2, ALOX5 ANPEP 1717/4885EPHX1 407/4885LTA4H 14/4885
US-20150065543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ANPEP 127/4885EPHX1 730/4885LTA4H 873/4885
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 ANPEP 94/4885EPHX1 1901/4885LTA4H 1553/4885

“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.