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Sugi Predict / Compounds / SCHEMBL4445873

SCHEMBL4445873

SCHEMBL4445873

CC(C)(C)OC(=O)N1CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 15/20 0.54
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48

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
SCHEMBL14008593 0.93 GPR119 (0.55) GPR119ALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL1700051 0.91 MAPT (0.52) GPR119ALDH1A1LMNAPOLBMAPT
SCHEMBL31344646 0.91 MAPT (0.52) GPR119ALDH1A1LMNAPOLBMAPT
SCHEMBL28474209 0.90 GPR119 (0.47) GPR119ALDH1A1
SCHEMBL1957904 0.88 MAPT (0.49) GPR119ALDH1A1LMNAPOLBMAPT
SCHEMBL3094959 0.87 ALDH1A1 (0.55) GPR119ALDH1A1LMNAPOLBMAPT
SCHEMBL28502044 0.87 ALDH1A1 (0.52) GPR119ALDH1A1LMNAPOLBMAPT
SCHEMBL1700242 0.86 MAPT (0.47) GPR119ALDH1A1LMNAPOLBMAPT
SCHEMBL4801290 0.86 ALDH1A1 (0.52) ALDH1A1LMNAPOLBMAPTSMN1; SMN2
SCHEMBL10059190 0.86 ALDH1A1 (0.52) GPR119ALDH1A1LMNAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111704613-B Imidazole derivatives and their use as TRPV4 inhibitors 中国人民解放军军事科学院军事医学研究院 2021-07-06 — — CN disclosed
CN-111704613-A Imidazole derivatives and their use as TRPV4 inhibitors 中国人民解放军军事科学院军事医学研究院 2020-09-25 — — CN disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 — — US disclosed
EP-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 — — EP disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 — — US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 — — US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 — — US disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 — — WO disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 — — WO disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 — — 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 (3 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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A GPR119 189/4885ALDH1A1 2622/4885LMNA 2105/4885
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 GPR119 160/4885ALDH1A1 1094/4885LMNA 3985/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 GPR119 133/4885ALDH1A1 586/4885LMNA 3639/4885

“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.