SCHEMBL2304178

SCHEMBL2304178

OCc1cc(C(F)(F)F)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.52
NOS2 P35228 1/20 0.52
NOTUM Q6P988 2/20 0.43
ADRB2 P07550 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MBOAT4 Q96T53 1/20 0.40
ADRB1 P08588 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A4 P31645 2/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
GLS O94925 2/20 0.38
TACR1 P25103 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.37
SRC P12931 2/20 0.37
CDK2 P24941 2/20 0.37

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
SCHEMBL29442871 1.00 NOS3 (0.52) NOS3NOS2NOTUMADRB2ALDH1A1
SCHEMBL14258704 0.84 KIF11 (0.53) NOTUM
SCHEMBL30947610 0.82 NOS3 (0.53) NOS3NOS2ADRB2ALDH1A1MBOAT4
SCHEMBL29442849 0.80 NOS3 (0.52) NOS3NOS2ADRB2ALDH1A1MBOAT4
SCHEMBL5260538 0.80 NOS3 (0.52) NOS3NOS2ADRB2ALDH1A1MBOAT4
SCHEMBL24442286 0.80 NOS3 (0.52) NOS3NOS2ADRB2ALDH1A1MBOAT4
SCHEMBL1843485 0.80 NOS3 (0.52) NOS3NOS2ADRB2ALDH1A1MBOAT4
SCHEMBL1443247 0.80 NOS3 (0.57) NOS3NOS2NOTUMADRB2ALDH1A1
SCHEMBL2616106 0.80 NOS3 (0.52) NOS3NOS2ADRB2ALDH1A1MBOAT4
SCHEMBL4873805 0.80 KIF11 (0.39) ADRB2ALDH1A1GAAL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2025-01-30 US disclosed
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
US-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling CONFO THERAPEUTICS N.V. (BE) 2024-11-07 US disclosed
EP-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 EP disclosed
EP-4377307-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING Confo Therapeutics N.V. (BE) 2024-06-05 EP disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
WO-2023169573-A1 POLθ INHIBITOR 武汉人福创新药物研发中心有限公司 2023-09-14 WO disclosed
CN-116730979-A Pol theta inhibitor 武汉人福创新药物研发中心有限公司 2023-09-12 CN disclosed
EP-1696919-A4 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2009-07-01 EP disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed
EP-1451161-B1 IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 2007-04-18 EP disclosed
CN-1893945-A 3-cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors INSIGHT INC (US) 2007-01-10 CN disclosed
EP-1696919-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2006-09-06 EP disclosed
US-20060040940-A1 Imidazopyridines pyrimidines and triazines for enhancing cognition as gaba-a-alphas 5 receoptor subtype ligands BETTATI MICHELA 2006-02-23 US disclosed
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors PFIZER INC. 2005-09-01 US disclosed
WO-2005060665-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-07-07 WO disclosed
EP-1451161-A1 IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS Merck Sharp & Dohme Limited (GB) 2004-09-01 EP disclosed
WO-2003048132-A1 IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2003-06-12 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 (5 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-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 NOS3 3516/4885NOS2 3902/4885NOTUM 1739/4885
US-20060040940-A1 Imidazopyridines pyrimidines and triazines for enhancing cognition as gaba-a-alphas 5 receoptor subtype ligands CHRNA3, GABRA3, GABRB3 NOS3 401/4885NOS2 1248/4885NOTUM 3856/4885
US-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling AGTR2, AGTR1, OPRL1 NOS3 707/4885NOS2 924/4885NOTUM 4588/4885
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors CCR2, CCR5, CXCR3 NOS3 952/4885NOS2 2013/4885NOTUM 3694/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 NOS3 1175/4885NOS2 1427/4885NOTUM 211/4885

“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.