SCHEMBL1818673

SCHEMBL1818673

O=C(O)[C@@H]1CCCN1Cc1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.65
CYP1A2 P05177 1/20 0.62
GRM2 Q14416 1/20 0.58
MCHR1 Q99705 2/20 0.53
NPBWR1 P48145 1/20 0.53
SPHK1 Q9NYA1 1/20 0.52
CD274 Q9NZQ7 5/20 0.52
PDCD1 Q15116 2/20 0.52
CYP2C19 P33261 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL29412321 1.00 CCR4 (0.65) CCR4CYP1A2GRM2MCHR1NPBWR1
SCHEMBL2029864 1.00 CCR4 (0.65) CCR4CYP1A2GRM2MCHR1NPBWR1
SCHEMBL18710326 0.84 CD274 (0.49) CCR4CYP1A2GRM2MCHR1NPBWR1
SCHEMBL1972076 0.84 CYP1A2 (0.60) CCR4CYP1A2MCHR1SPHK1CD274
SCHEMBL1819248 0.84 CYP1A2 (0.60) CCR4CYP1A2MCHR1SPHK1CD274
SCHEMBL2587055 0.84 CYP1A2 (0.60) CCR4CYP1A2MCHR1SPHK1CD274
SCHEMBL7455392 0.84 CCR4 (0.57) CCR4GRM2MCHR1NPBWR1SPHK1
Hydrochloric Acid SCHEMBL992443 0.83 CYP1A2 (0.59) CCR4CYP1A2MCHR1SPHK1CD274
Hydrochloric Acid SCHEMBL20790624 0.83 CYP1A2 (0.59) CCR4CYP1A2MCHR1SPHK1CD274
Hydrochloric Acid SCHEMBL992441 0.83 CYP1A2 (0.59) CCR4CYP1A2MCHR1SPHK1CD274

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 66 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
US-20210308090-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES LLC (US) 2021-10-07 US disclosed
US-20210275491-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES, LLC 2021-09-09 US disclosed
US-11033525-B2 Fap-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2021-06-15 US disclosed
WO-2008128064-A2 TRUNCATED ANALOGS OF PEPTIDE AND POLYPEPTIDE THERAPEUTICS TRUSTEES OF TUFTS COLLEGE (US) 2008-10-23 WO 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-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 (7 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 CCR4 2089/4885CYP1A2 1575/4885GRM2 4761/4885
US-11033525-B2 Fap-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 CCR4 1886/4885CYP1A2 2416/4885GRM2 4807/4885
US-20210275491-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 CCR4 1886/4885CYP1A2 2416/4885GRM2 4807/4885
US-20210308090-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 CCR4 1886/4885CYP1A2 2416/4885GRM2 4807/4885
US-12023316-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 CCR4 1886/4885CYP1A2 2416/4885GRM2 4807/4885
US-11925655-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 CCR4 2163/4885CYP1A2 1625/4885GRM2 4752/4885
US-20220087971-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 CCR4 1886/4885CYP1A2 2416/4885GRM2 4807/4885

“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.