SCHEMBL935200

SCHEMBL935200

c1ccc2c(c1)[N]CCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL102337 0.87 ITGB2 (0.50) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL454003 0.73
SCHEMBL10353507 0.72 ITGB2 (0.54) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL18874763 0.72 ITGB2 (0.54) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL29408297 0.71 ITGB2 (0.77) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL8023323 0.71 ITGB2 (0.77) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL9351 0.71 ITGB2 (0.77) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL4505371 0.71 ITGB2 (0.77) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL2514744 0.69 ITGB2 (0.44) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL8026963 0.69 ITGB2 (0.72) ITGB2ICAM1ITGALLMNASMN1; 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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192960-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2023-10-05 WO claimed
EP-4110765-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE Board of Regents, The University of Texas System (US) 2023-01-04 EP claimed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 EP claimed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US claimed
EP-2454239-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals Inc. (US) 2012-05-23 EP claimed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 WO claimed
EP-1321169-A1 Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament Biofrontera Pharmaceuticals AG (DE) 2003-06-25 EP claimed
US-5863924-A Aryl pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1999-01-26 US claimed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP claimed
WO-2023192960-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2023-10-05 WO disclosed
US-11690850-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-04 US disclosed
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-25 US disclosed
US-20230082516-A1 15-PGDH INHIBITOR KYORIN PHARMACEUTICAL CO., LTD. (JP) 2023-03-16 US disclosed
EP-4110765-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE Board of Regents, The University of Texas System (US) 2023-01-04 EP disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 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 (4 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-20230082516-A1 15-PGDH INHIBITOR UGDH, HPGD, GCDH ITGB2 4635/4885ICAM1 4360/4885ITGAL 4633/4885
US-11690850-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease RIPK1, RIPK2, RIPK4 ITGB2 4556/4885ICAM1 1542/4885ITGAL 4465/4885
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 ITGB2 4556/4885ICAM1 1542/4885ITGAL 4465/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A ITGB2 3195/4885ICAM1 1656/4885ITGAL 3608/4885

“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.