SCHEMBL458083

SCHEMBL458083

COc1cc(C=O)ccc1OCCCCl

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.81
ALDH1A1 P00352 11/20 0.66
TSHR P16473 1/20 0.66
MAPT P10636 10/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
LMNA P02545 4/20 0.65
NPSR1 Q6W5P4 2/20 0.65
HTT P42858 2/20 0.65
HPGD P15428 7/20 0.63
CYP2C9 P11712 3/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CYP2D6 P10635 1/20 0.63
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
HSP90AA1 P07900 1/20 0.60

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
SCHEMBL30462879 1.00 FDPS (0.81) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL28335185 0.94 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL3924488 0.94 FDPS (0.71) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL30462849 0.94 FDPS (0.71) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL5254439 0.94 FDPS (0.81) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL9442186 0.92 FDPS (0.90) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL8719147 0.90 FDPS (0.87) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL9442183 0.90 FDPS (0.87) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL5973815 0.90 FDPS (1.00) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL686103 0.87 FDPS (0.81) FDPSALDH1A1TSHRMAPTSMN1; 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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190501-A1 PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-07-25 US claimed
WO-2012032532-A1 \"PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF\ SYMED LABS LIMITED (IN) 2012-03-15 WO claimed
CN-116283936-A Substituted amino ether-containing 2, 2-dimethyl benzopyran derivative and salt or solvate thereof, preparation and application thereof, and composition 沈阳药科大学 2023-06-23 CN disclosed
CN-110283155-B Halogenated alkoxy coumarin flame-retardant ultraviolet-blue light absorber and preparation method thereof 广东省测试分析研究所(中国广州分析测试中心) 2021-03-26 CN disclosed
US-20160113900-A1 INHIBITORS OF MITOCHONDRIAL STAT3 AND USES THEREOF IN MODULATION OF MAST CELL EXOCYTOSIS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2016-04-28 US disclosed
US-9000221-B2 Processes for the preparation of 4′-[3-[4-(6-Fluoro-1 ,2-benzisoxazol-3-yl)piperidino]propoxy]-3′-methoxyacetophenone and intermediates thereof SYMED LABS LIMITED (IN) 2015-04-07 US disclosed
US-9000221-B2 Processes for the preparation of 4′-[3-[4-(6-Fluoro-1 ,2-benzisoxazol-3-yl)piperidino]propoxy]-3′-methoxyacetophenone and intermediates thereof SYMED LABS LIMITED (IN) 2015-04-07 US disclosed
US-9000221-B2 Processes for the preparation of 4′-[3-[4-(6-Fluoro-1 ,2-benzisoxazol-3-yl)piperidino]propoxy]-3′-methoxyacetophenone and intermediates thereof SYMED LABS LIMITED (IN) 2015-04-07 US disclosed
US-20130190501-A1 PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-07-25 US disclosed
US-20130190501-A1 PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-07-25 US disclosed
US-20130190501-A1 PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-07-25 US disclosed
US-5552414-A 1-(1H-indolyloxyalkyl)-4-(heteroaryl) piperidines and related compounds useful as antipsychotics and analgesics HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-09-03 US disclosed
US-5550130-A ANTIPSYCHOTIC AGENTS, ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-08-27 US disclosed
WO-1995011680-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-05-04 WO disclosed
US-5364866-A Side effect reduction HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1994-11-15 US disclosed
US-5358999-A Polyvinyl acetals ULANO CORPORATION (US) 1994-10-25 US disclosed
EP-0612318-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-08-31 EP disclosed
US-5330877-A Photoresists based on quaternary ammonium derivatives of an acetal resin ULANO CORPORATION (US) 1994-07-19 US disclosed
EP-0542136-A1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgetics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-19 EP disclosed
WO-1993009102-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1993-05-13 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 (2 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-20130190501-A1 PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF CYP4B1, CYP4X1, CYP3A4 FDPS 168/4885ALDH1A1 33/4885TSHR 4628/4885
US-20160113900-A1 INHIBITORS OF MITOCHONDRIAL STAT3 AND USES THEREOF IN MODULATION OF MAST CELL EXOCYTOSIS STAT3, JAK2, MAVS FDPS 3664/4885ALDH1A1 3264/4885TSHR 3109/4885

“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.