SCHEMBL714493

SCHEMBL714493

FC(F)(F)c1cnc2c(c1)CNCC2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.42
HTR2C P28335 7/20 0.40
HTR2B P41595 6/20 0.40
CYP3A4 P08684 1/20 0.37
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR2A P28223 3/20 0.35
HTR6 P50406 1/20 0.33
ADRB1 P08588 1/20 0.33
PNMT P11086 1/20 0.32
CD44 P16070 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL30590165 1.00 ASIC3 (0.42) ASIC3HTR2CHTR2BCYP3A4POLB
Hydrochloric Acid SCHEMBL30331765 0.98 ASIC3 (0.41) ASIC3HTR2CHTR2BCYP3A4POLB
Hydrochloric Acid SCHEMBL1119771 0.98 ASIC3 (0.41) ASIC3HTR2CHTR2BCYP3A4POLB
Hydrochloric Acid SCHEMBL1119948 0.98 ASIC3 (0.41) ASIC3HTR2CHTR2BCYP3A4POLB
Hydrochloric Acid SCHEMBL1119945 0.98 ASIC3 (0.41) ASIC3HTR2CHTR2BCYP3A4POLB
SCHEMBL25156600 0.87 CYP3A4 (0.35) ASIC3HTR2CHTR2BCYP3A4POLB
SCHEMBL30624154 0.87 ASIC3 (0.42) ASIC3HTR2CHTR2BALDH1A1HTR2A
SCHEMBL621045 0.84 ALDH1A1 (0.34) ASIC3HTR2CHTR2BPOLBSMN1; SMN2
SCHEMBL13761127 0.83 CYP3A4 (0.37) ASIC3HTR2CHTR2BCYP3A4POLB
Hydrochloric Acid SCHEMBL622126 0.83 ALDH1A1 (0.33) ASIC3HTR2CHTR2BPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135475-A1 Process for the preparation of ccr-2 antagonists MERCK SHARP & DOHME CORP. 2007-06-14 US claimed
JP-2007509944-A 2007-04-19 JP claimed
EP-1682500-A1 PROCESS FOR THE PREPARATION OF CCR-2 ANTAGONIST Merck & Co., Inc. (US) 2006-07-26 EP claimed
WO-2005044795-A1 PROCESS FOR THE PREPARATION OF CCR-2 ANTAGONIST MERCK & CO., INC. (US) 2005-05-19 WO claimed
EP-4482527-B1 CYTOTOXICITY TARGETING CHIMERAS FOR C-C CHEMOKINE RECEPTOR 2-EXPRESSING CELLS GLAXOSMITHKLINE IP DEV LTD (GB) 2026-04-08 EP disclosed
US-20250154288-A1 CYTOTOXICITY TARGETING CHIMERAS FOR C-C CHEMOKINE RECEPTOR 2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2025-05-15 US disclosed
WO-2024220641-A1 1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 USEFUL FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2024-10-24 WO disclosed
WO-2023161874-A1 CYTOTOXICITY TARGETING CHIMERAS FOR C-C CHEMOKINE RECEPTOR 2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
WO-2023161874-A1 CYTOTOXICITY TARGETING CHIMERAS FOR C-C CHEMOKINE RECEPTOR 2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
WO-2023064585-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
WO-2023064587-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
WO-2023064584-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
WO-2005044795-A8 PROCESS FOR THE PREPARATION OF CCR-2 ANTAGONIST MERCK & CO INC (US) 2006-06-22 WO disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 US disclosed
US-20050267146-A1 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2005-12-01 US disclosed
WO-2005044264-A1 CCR-2 ANTAGONIST SALT MERCK & CO., INC. (US) 2005-05-19 WO disclosed
WO-2005044264-A1 CCR-2 ANTAGONIST SALT MERCK & CO., INC. (US) 2005-05-19 WO disclosed
WO-2005044795-A1 PROCESS FOR THE PREPARATION OF CCR-2 ANTAGONIST MERCK & CO., INC. (US) 2005-05-19 WO disclosed
WO-2005044795-A1 PROCESS FOR THE PREPARATION OF CCR-2 ANTAGONIST MERCK & CO., INC. (US) 2005-05-19 WO disclosed
WO-2004069162-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-08-19 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 (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-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 ASIC3 580/4885HTR2C 2255/4885HTR2B 1666/4885
US-20250154288-A1 CYTOTOXICITY TARGETING CHIMERAS FOR C-C CHEMOKINE RECEPTOR 2-EXPRESSING CELLS CCR2, CCRL2, CCR5 ASIC3 4413/4885HTR2C 2620/4885HTR2B 3508/4885
US-20070135475-A1 Process for the preparation of ccr-2 antagonists CCR1, CCR2, CCR4 ASIC3 93/4885HTR2C 301/4885HTR2B 686/4885
US-20050267146-A1 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors CCR5, CXCR3, CCR2 ASIC3 1158/4885HTR2C 743/4885HTR2B 1041/4885

“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.