SCHEMBL3138467

SCHEMBL3138467

O[C@@H](CCCl)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
GRIN2B Q13224 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
CNR2 P34972 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL4635150 1.00 CES2 (0.45) CES2CES1GRIN2BHDAC4HDAC7
SCHEMBL14607861 1.00 CES2 (0.45) CES2CES1GRIN2BHDAC4HDAC7
SCHEMBL29729972 1.00 CES2 (0.45) CES2CES1GRIN2BHDAC4HDAC7
SCHEMBL29649098 1.00 CES2 (0.45) CES2CES1GRIN2BHDAC4HDAC7
SCHEMBL18921489 0.96 CES2 (0.42) CES2CES1GRIN2BHDAC4HDAC7
SCHEMBL25159745 0.85 CES2 (0.47) CES2CES1GRIN2BHDAC4HDAC7
SCHEMBL7786410 0.85 CES2 (0.47) CES2CES1GRIN2BHDAC4HDAC7
SCHEMBL3175425 0.83 CES2 (0.46) CES2CES1GRIN2BHDAC4HDAC7
SCHEMBL13849940 0.81 CES2 (0.45) CES2CES1GRIN2BHDAC4HDAC7
SCHEMBL14402601 0.81 CES2 (0.45) CES2CES1GRIN2BHDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534457-B2 Heteroaryl derivative compounds, and uses thereof VORONOI INC. (KR) 2026-01-27 US disclosed
US-12528799-B2 Heteroaryl derivative compounds, and uses thereof VORONOI INC. (KR) 2026-01-20 US disclosed
US-20250368635-A1 HETEROARYL DERIVATIVE COMPOUND, AND USES THEREOF VORONOI, INC. (KR) 2025-12-04 US disclosed
EP-4631507-A2 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT Voronoi Inc. (KR) 2025-10-15 EP disclosed
EP-4619403-A1 HETEROARYL DERIVATIVE COMPOUND, AND USES THEREOF Voronoi, Inc. (KR) 2025-09-24 EP disclosed
EP-3943491-B1 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT VORONOI INC (KR) 2025-06-18 EP disclosed
US-12157730-B2 Heteroaryl derivative, method for producing same, and pharmaceutical composition comprising same as effective component VORONOI INC. (KR) 2024-12-03 US disclosed
US-12152021-B2 Heteroaryl derivative, method for producing same, and pharmaceutical composition comprising same as effective component VORONOI INC. (KR) 2024-11-26 US disclosed
US-20240317730-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF VORONOI INC. (KR) 2024-09-26 US disclosed
US-12037330-B2 Heteroaryl derivative compounds, and uses thereof VORONOI INC. (KR) 2024-07-16 US disclosed
WO-2020190119-A1 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT 주식회사 보로노이 2020-09-24 WO disclosed
WO-2020190119-A1 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT 주식회사 보로노이 2020-09-24 WO disclosed
US-7687529-B2 Substituted propylamine derivatives and methods of their use WYETH LLC (US) 2010-03-30 US disclosed
US-7601744-B2 Benzothiadiazolylphenylalkylamine derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
EP-1934193-A1 BENZOTHIADIAZOLYPHENYLALKYLAMINE DERIVATIVES FOR USE IN THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE Wyeth a Corporation of the State of Delaware (US) 2008-06-25 EP disclosed
EP-1934178-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2008-06-25 EP disclosed
WO-2007041258-A1 BENZOTHIADIAZOLYPHENYLALKYLAMINE DERIVATIVES FOR USE IN THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE WYETH (US) 2007-04-12 WO disclosed
WO-2007041257-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-04-12 WO disclosed
US-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one WYETH (US) 2007-03-29 US disclosed
US-20070072918-A1 Benzothiadiazolylphenylalkylamine derivatives and methods of their use WYETH (US) 2007-03-29 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 (9 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-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one TPH1, HTR1A, HTR5A CES2 1554/4885CES1 909/4885GRIN2B 589/4885
US-12157730-B2 Heteroaryl derivative, method for producing same, and pharmaceutical composition comprising same as effective component ERBB4, ERBB2, EGFR CES2 3680/4885CES1 3409/4885GRIN2B 3037/4885
US-12037330-B2 Heteroaryl derivative compounds, and uses thereof ERBB2, EGFR, ERBB3 CES2 2857/4885CES1 3727/4885GRIN2B 2374/4885
US-20250368635-A1 HETEROARYL DERIVATIVE COMPOUND, AND USES THEREOF ERBB2, EGFR, ERBB3 CES2 2512/4885CES1 3354/4885GRIN2B 2002/4885
US-20070072918-A1 Benzothiadiazolylphenylalkylamine derivatives and methods of their use GLS, SLC6A4, SLC6A3 CES2 606/4885CES1 1387/4885GRIN2B 1074/4885
US-12152021-B2 Heteroaryl derivative, method for producing same, and pharmaceutical composition comprising same as effective component ERBB4, ERBB2, EGFR CES2 3680/4885CES1 3409/4885GRIN2B 3037/4885
US-20240317730-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF ERBB2, EGFR, ERBB3 CES2 2857/4885CES1 3727/4885GRIN2B 2374/4885
US-12528799-B2 Heteroaryl derivative compounds, and uses thereof ERBB2, EGFR, ERBB3 CES2 1116/4885CES1 706/4885GRIN2B 2686/4885
US-12534457-B2 Heteroaryl derivative compounds, and uses thereof ERBB2, EGFR, ERBB3 CES2 1186/4885CES1 807/4885GRIN2B 2621/4885

“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.