SCHEMBL3313775

SCHEMBL3313775

OCC(CO)N1CC[N]CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.32

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
SCHEMBL5949628 0.91
SCHEMBL2479405 0.75 HRH3 (0.34)
SCHEMBL7464599 0.75 SIGMAR1 (0.31)
SCHEMBL20761081 0.75
SCHEMBL4733476 0.74 HRH3 (0.36)
SCHEMBL3557493 0.69 HRH3 (0.31)
SCHEMBL1416077 0.68 IDO1 (0.36) IDO1
SCHEMBL3315836 0.68 SLC6A4 (0.39) IDO1
SCHEMBL3552404 0.67 HRH3 (0.33)
Piperazine SCHEMBL28843492 0.67 SLC6A4 (0.38) IDO1

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-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-7125877-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-10-24 US disclosed
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
EP-1505063-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-02-09 EP disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
US-20030236267-A1 Benzimidazole derivatives MSD K.K. (JP) 2003-12-25 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP disclosed
EP-0858452-B1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-03-13 EP disclosed
US-6140330-A USEFUL AS PROTEIN KINASE INHIBITOR; FOR TREATMENT OF AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS, SYSTEMIC LUPUS ERYTHEMATOSUS, MULTIPLE SCLEROSIS, PSORIASIS, ETC., VARIOUS ALLERGIC DISEASES SUCH AS CROHN'S DISEASE, ASTHMA OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-10-31 US disclosed
EP-0858452-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed
WO-1998004536-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-02-05 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 (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-20030236267-A1 Benzimidazole derivatives OPRL1, GPR119, NPBWR1 IDO1 3272/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR IDO1 2347/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS IDO1 3076/4885

“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.