SCHEMBL1819646

SCHEMBL1819646

O=C(O)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.59
NPBWR1 P48145 6/20 0.58
HRH3 Q9Y5N1 2/20 0.52
GBA1 P04062 1/20 0.52
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
NR2F2 P24468 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.49
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
SIGMAR1 Q99720 2/20 0.48

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
SCHEMBL2028574 1.00 MCHR1 (0.59) MCHR1NPBWR1HRH3GBA1KDM4E
Hydrochloric Acid SCHEMBL11162003 0.99 MCHR1 (0.58) MCHR1NPBWR1HRH3GBA1KDM4E
Hydrochloric Acid SCHEMBL11162007 0.99 MCHR1 (0.58) MCHR1NPBWR1HRH3GBA1KDM4E
SCHEMBL2035214 0.85 KDM4E (0.56) MCHR1NPBWR1KDM4EMAPK1SMN1; SMN2
SCHEMBL3563907 0.85 MCHR1 (0.56) MCHR1NPBWR1HRH3GBA1KDM4E
SCHEMBL2035212 0.85 KDM4E (0.56) MCHR1NPBWR1KDM4EMAPK1SMN1; SMN2
SCHEMBL7460803 0.84 MCHR1 (0.53) MCHR1NPBWR1HRH3GBA1ALDH1A1
SCHEMBL7458698 0.84 MCHR1 (0.53) MCHR1NPBWR1HRH3GBA1KDM4E
SCHEMBL1817183 0.81 CYP1A2 (0.51) MCHR1NPBWR1SMN1; SMN2PDCD1CD274
SCHEMBL2032294 0.81 CYP1A2 (0.51) MCHR1NPBWR1SMN1; SMN2PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12023316-B2 FAP-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2024-07-02 US disclosed
US-11925655-B2 FAP-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2024-03-12 US disclosed
EP-4299134-A2 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO Bach Biosciences, LLC (US) 2024-01-03 EP disclosed
EP-3154594-B1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES LLC (US) 2023-07-19 EP disclosed
US-11302421-B2 Data storage using peptides THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2022-04-12 US disclosed
US-20220087971-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES, LLC 2022-03-24 US disclosed
US-11266669-B2 FAP-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2022-03-08 US disclosed
CN-113967258-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2022-01-25 CN disclosed
CN-113956325-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2022-01-21 CN disclosed
CN-113786495-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2021-12-14 CN disclosed
WO-2008119005-A1 3,4-DEHYDRO-PROLINE-CONTAINING INHIBITORS OF DIPEPTIDYLPEPTIDASE IV TRUSTEES OF TUFTS COLLEGE (US) 2008-10-02 WO disclosed
WO-2008118848-A1 N-SUBSTITUTED PEPTIDOMIMETIC INHIBITORS OF DIPEPTIDYLPEPTIDASE IV TRUSTEES OF TUFTS COLLEGE (US) 2008-10-02 WO disclosed
WO-2008116053-A2 FAP-ACTIVATED CHEMOTHERAPEUTIC COMPOUNDS, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-09-25 WO disclosed
WO-2008116054-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-09-25 WO disclosed
EP-1948243-A2 POLYCATION-POLYANION COMPLEXES, COMPOSITIONS AND METHODS OF USE THEREOF Aeris Therapeutics, Inc. (US) 2008-07-30 EP disclosed
US-20080057491-A1 Substrates and inhibitors of antiplasmin cleaving enzyme and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-06 US disclosed
WO-2008022015-A2 RETRO-INVERSO INCRETIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-02-21 WO disclosed
WO-2007146104-A2 SUBSTRATES AND INHIBITORS OF ANTIPLASMIN CLEAVING ENZYME AND METHODS OF USE MCKEE PATRICK A (US) 2007-12-21 WO disclosed
WO-2007055950-A2 POLYCATION-POLYANION COMPLEXES, COMPOSITIONS AND METHODS OF USE THEREOF AERIS THERAPEUTICS, INC. (US) 2007-05-18 WO disclosed
US-20070110813-A1 Polycation-polyanion complexes, compositions and methods of use thereof AERIS THERAPEUTICS, INC. (US) 2007-05-17 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 (4 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-11266669-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 MCHR1 4828/4885NPBWR1 3684/4885HRH3 4501/4885
US-12023316-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 MCHR1 4812/4885NPBWR1 3549/4885HRH3 4506/4885
US-11925655-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 MCHR1 4832/4885NPBWR1 3723/4885HRH3 4490/4885
US-20220087971-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 MCHR1 4812/4885NPBWR1 3549/4885HRH3 4506/4885

“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.