Sugi Predict

Sugi Predict / Compounds / SCHEMBL408685

SCHEMBL408685

SCHEMBL408685

NC(=O)[C@@H]1CCCN1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 1/20 0.71
▸ SCN3A Q9NY46 1/20 0.61
▸ MAOA P21397 3/20 0.60
▸ MAOB P27338 3/20 0.60
▸ POLB P06746 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.55
▸ PDCD1 Q15116 1/20 0.52
▸ CD274 Q9NZQ7 1/20 0.52
▸ CCR4 P51679 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ OPRL1 P41146 2/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ ACE P12821 1/20 0.46

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
SCHEMBL5154674 1.00 SPHK1 (0.71) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL408684 1.00 SPHK1 (0.71) SPHK1SCN3AMAOAMAOBPOLB
Hydrochloric Acid SCHEMBL28533309 0.98 SPHK1 (0.70) SPHK1SCN3AMAOAMAOBPOLB
Hydrochloric Acid SCHEMBL4368428 0.98 SPHK1 (0.70) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL4723427 0.95 SPHK1 (0.66) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL16714052 0.90 SPHK1 (0.60) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL3399606 0.89 SPHK1 (0.58) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL2592830 0.89 SPHK1 (0.58) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL3055319 0.89 SPHK1 (0.58) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL1819248 0.87 CYP1A2 (0.60) SPHK1NPSR1PDCD1CD274CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612387-B2 RAS inhibitors and methods of using the same JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2026-04-28 — — US disclosed
CN-117659018-A Chiral C1 symmetrical imidazole-pyridine-imidazolidinone tridentate nitrogen ligand, synthesis and application thereof 河南师范大学 2024-03-08 — — CN disclosed
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-10-26 — — US disclosed
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-10-26 — — US disclosed
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-10-26 — — US disclosed
EP-4097095-A1 RAS INHIBITORS AND METHODS OF USING THE SAME Jazz Pharmaceuticals Ireland Limited (IE) 2022-12-07 — — EP disclosed
US-11124482-B2 C-met modulators and methods of use EXELIXIS, INC. (US) 2021-09-21 — — US disclosed
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. 2021-08-19 — — US disclosed
WO-2021152149-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2021-08-05 — — WO disclosed
WO-2021152149-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2021-08-05 — — WO disclosed
EP-1745019-A1 NOVEL COMPOUNDS OF PROLINE AND MORPHOLINE DERIVATIVES PFIZER INC. (US) 2007-01-24 — — EP disclosed
US-20050261290-A1 Novel compounds of proline and morpholine derivatives CHENG HENGMIAO 2005-11-24 — — US disclosed
WO-2005108359-A1 NOVEL COMPOUNDS OF PROLINE AND MORPHOLINE DERIVATIVES PFIZER INC. (US) 2005-11-17 — — WO disclosed
EP-0126587-B1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMA (JP) 1995-04-19 — — EP disclosed
US-5122604-A 2-(2-Carbonyl-substituted pyrrolidin-4-yl)carbapenems and -penems; microbiocides SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1992-06-16 — — US disclosed
WO-1991019733-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1991-12-26 — — WO disclosed
US-4943569-A B-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-07-24 — — US disclosed
US-4933333-A β-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-06-12 — — US disclosed
EP-0346847-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-12-20 — — EP disclosed
EP-0126587-A1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-11-28 — — EP 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 (5 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-20210253530-A9 C-MET MODULATORS AND METHODS OF USE FLT4, FLT1, MET SPHK1 1186/4885SCN3A 2576/4885MAOA 1998/4885
US-12612387-B2 RAS inhibitors and methods of using the same KRAS, NRAS, HRAS SPHK1 3768/4885SCN3A 772/4885MAOA 4688/4885
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS SPHK1 2810/4885SCN3A 3927/4885MAOA 4645/4885
US-20050261290-A1 Novel compounds of proline and morpholine derivatives CYP11B1, HSD11B1, CYP11B2 SPHK1 504/4885SCN3A 976/4885MAOA 587/4885
US-11124482-B2 C-met modulators and methods of use FLT4, FLT1, MET SPHK1 1186/4885SCN3A 2576/4885MAOA 1998/4885

“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.