SCHEMBL7002076

SCHEMBL7002076

CS(=O)(=O)OCCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
EPHX2 P34913 7/20 0.43
CACNA1B Q00975 2/20 0.39
CYP19A1 P11511 1/20 0.39
SLC6A3 Q01959 2/20 0.38
CACNA1F O60840 1/20 0.38
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
HRH2 P25021 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 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
SCHEMBL6981260 0.85 LMNA (0.48) TSHRLMNAKDM4EUSP2ALDH1A1
SCHEMBL9396248 0.83 ALDH1A1 (0.42) TSHRLMNAKDM4EUSP2ALDH1A1
SCHEMBL9874516 0.82 CYP19A1 (0.40) TSHRLMNAKDM4EUSP2ALDH1A1
SCHEMBL13527883 0.80 KDM4E (0.52) TSHRLMNAKDM4EUSP2ALDH1A1
SCHEMBL13786082 0.79 SIGMAR1 (0.48) TSHRLMNAKDM4EUSP2ALDH1A1
SCHEMBL9778351 0.78 EPHX2 (0.46) TSHREPHX2CACNA1BCYP19A1SLC6A3
SCHEMBL8574884 0.75 ALDH1A1 (0.48) TSHRLMNAKDM4EUSP2ALDH1A1
SCHEMBL6263732 0.74 SLC6A3 (0.46) TSHRLMNAUSP2ALDH1A1EPHX2
SCHEMBL3391000 0.74 HRH1 (0.42) TSHRLMNAKDM4EUSP2ALDH1A1
SCHEMBL5252209 0.72 ALDH1A1 (0.45) TSHRLMNAKDM4EUSP2ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919508-B2 3-piperidinylisochroman-5-ols as dopamine agonists AVENTIS PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
EP-1015446-B1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2003-04-02 EP disclosed
EP-1015446-A1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS Aventis Pharmaceuticals Inc. (US) 2000-07-05 EP disclosed
US-6022880-A Substituted pyridylamino indoles HOECHST MARION ROUSSEL, INC. (US) 2000-02-08 US disclosed
US-6004982-A SIDE EFFECT REDUCTION; SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
WO-1998034933-A1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-08-13 WO disclosed
US-5328920-A Alleviating memory dysfunctions HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-07-12 US disclosed
US-5077405-A Condensation of corresponding phenylsulfonyl compound with condensation agent, cyanation, reduction HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-12-31 US disclosed
EP-0417653-A1 3-(1-Substituted-4-piperazinyl)-1H-indazoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-20 EP disclosed
US-4954503-A ANALGESIC, ANTIPSYCHOTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1990-09-04 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 (1 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-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS DRD3, DRD2, DRD4 TSHR 452/4885LMNA 4555/4885KDM4E 2713/4885

“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.