Sugi Predict

Sugi Predict / Compounds / SCHEMBL1421838

SCHEMBL1421838

SCHEMBL1421838

O=C(O)C1(c2ccc(F)cc2)CCCC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1C1 Q04828 1/20 0.68
▸ HSD11B1 P28845 6/20 0.54
▸ APP P05067 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HDAC1 Q13547 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ HDAC4 P56524 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MLYCD O95822 1/20 0.44

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
SCHEMBL1807150 0.98 AKR1C1 (0.66) AKR1C1HSD11B1APPCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL28577324 0.98 AKR1C1 (0.66) AKR1C1HSD11B1APPCYP3A4CYP2C9
SCHEMBL988946 0.96 AKR1C1 (0.62) AKR1C1HSD11B1APPCYP3A4CYP2C9
SCHEMBL301150 0.92 APP (0.61) AKR1C1HSD11B1APPCYP3A4CYP2C9
SCHEMBL378896 0.83 APP (0.50) AKR1C1HSD11B1APPCYP3A4CYP2C9
SCHEMBL5768239 0.83 CYP2C9 (0.50) AKR1C1HSD11B1APPCYP3A4CYP2C9
SCHEMBL166581 0.83 APP (0.50) AKR1C1HSD11B1APPCYP3A4CYP2C9
SCHEMBL17761264 0.83 APP (0.54) AKR1C1HSD11B1APPCYP3A4CYP2C9
SCHEMBL42559 0.82 LMNA (0.53) AKR1C1HSD11B1MEN1KMT2AHDAC1
SCHEMBL28577323 0.82 HSD11B1 (0.50) AKR1C1HSD11B1MEN1KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312327-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 — — US claimed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
US-20220363662-A1 COMPOUNDS AS LXR AGONISTS Integral Biosciences Privated Limited (IN) 2022-11-17 — — US disclosed
WO-2022224166-A1 COMPOUNDS AS LXR AGONISTS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-10-27 — — WO disclosed
CN-113061098-B Amide compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2022-08-30 — — CN disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
CN-1668300-A Spirocyclic piperidines as MCH1 antagonists and uses thereof LUNDBECK & CO AS H (DK) 2005-09-14 — — CN disclosed
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 — — US disclosed
EP-1531816-A1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. Lundbeck A/S (DK) 2005-05-25 — — EP disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 — — US disclosed
WO-2004064764-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2004-08-05 — — WO disclosed
US-20040073036-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-15 — — US disclosed
WO-2004004714-A1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. LUNDBECK A/S (DK) 2004-01-15 — — WO disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 — — WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — 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 (6 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B AKR1C1 3441/4885HSD11B1 3556/4885APP 4434/4885
US-20090312327-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS TACR2, PRLHR, AVPR2 AKR1C1 331/4885HSD11B1 1899/4885APP 2259/4885
US-20040073036-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R AKR1C1 701/4885HSD11B1 1080/4885APP 3296/4885
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 AKR1C1 427/4885HSD11B1 289/4885APP 1930/4885
US-20220363662-A1 COMPOUNDS AS LXR AGONISTS NR1H2, NR1H3, NR1H4 AKR1C1 277/4885HSD11B1 46/4885APP 148/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R AKR1C1 701/4885HSD11B1 1080/4885APP 3296/4885

“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.