SCHEMBL8068536

SCHEMBL8068536

NC1Cc2ccccc2C1N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.50
HTR2A P28223 1/20 0.48
SIGMAR1 Q99720 2/20 0.46
ANPEP P15144 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL15018685 1.00 KDM1A (0.50) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL31349197 1.00 KDM1A (0.50) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL13779890 1.00 KDM1A (0.50) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL30968147 1.00 KDM1A (0.50) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL3202238 1.00 KDM1A (0.50) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL3196912 1.00 KDM1A (0.50) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
Hydrochloric Acid SCHEMBL2590934 0.98 KDM1A (0.53) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL3228205 0.77 KDM1A (0.47) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL1239150 0.77 KDM1A (0.47) KDM1AHTR2ASIGMAR1ANPEPGRIN2D
SCHEMBL10557020 0.77 KDM1A (0.47) KDM1AHTR2ASIGMAR1ANPEPGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993002707-A1 NEW ANTI-DIARRHEIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-02-18 WO claimed
US-9403763-B2 CD4-mimetic inhibitors of HIV-1 entry and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-02 US disclosed
US-20140350113-A1 CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-27 US disclosed
WO-2013090696-A1 CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-06-20 WO disclosed
US-20100029985-A1 Process AVECIA PHARMACEUTICALS LIMITED (GB) 2010-02-04 US disclosed
US-20100029985-A1 Process AVECIA PHARMACEUTICALS LIMITED (GB) 2010-02-04 US disclosed
WO-2009037416-A1 PROCESS FOR PREPARING SULPHONAMIDES NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037497-A1 PROCESS FOR PREPARING SULPHONAMIDES NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2009-03-26 WO disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
EP-0659076-A1 7-((SUBSTITUTED)AMINO)-8-(((SUBSTITUTED)CARBONYL)-METHYLAMINO)-1-OXASPIRO(4,5)DECANES USEFUL IN PARKINSON'S DISEASE, DYSTONIA, AND OTHER MOVEMENT DISORDERS WARNER-LAMBERT COMPANY (US) 1995-06-28 EP disclosed
US-5369105-A Administering to humans WARNER-LAMBERT COMPANY (US) 1994-11-29 US disclosed
US-5317028-A 7-((substituted)amino)-8((substituted)carbonyl)-methylamino-1-oxaspiro(4,5)decanes useful in Parkinson's disease, dystonia, and other movement disorders WARNER-LAMBERT CO. (US) 1994-05-31 US disclosed
WO-1994005284-A1 7-((SUBSTITUTED)AMINO)-8-(((SUBSTITUTED)CARBONYL)-METHYLAMINO)-1-OXASPIRO(4,5)DECANES USEFUL IN PARKINSON'S DISEASE, DYSTONIA, AND OTHER MOVEMENT DISORDERS WARNER-LAMBERT COMPANY (US) 1994-03-17 WO disclosed
WO-1993002707-A1 NEW ANTI-DIARRHEIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-02-18 WO disclosed
US-5063242-A 7-((substituted)amino)-8-((substituted)carbonyl)-methylamino-1-oxaspiro[4,5]decanes as diuretics antiinflammatory, and cerebrovascular agents WARNER-LAMBERT COMPANY (US) 1991-11-05 US disclosed
EP-0393696-A2 7-(Substituted)amino)-8-(substituted)Carbonyl)-methylamino-1-oxaspiro (4,5)decanes as diuretics antiinflammatory, and cerebrovascular agents WARNER-LAMBERT COMPANY (US) 1990-10-24 EP disclosed
US-4965278-A 7-(substituted)amino)-8-((substituted)carbonyl)-methylamino)-1-oxaspiro[4,5]decanes as diuretics antiiflammatory, and cerebrovascular agents WARNER-LAMBERT COMPANY (US) 1990-10-23 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 (2 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-20100029985-A1 Process ADH1A, ADH1C, AKR1C3 KDM1A 1206/4885HTR2A 1435/4885SIGMAR1 483/4885
US-20140350113-A1 CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF CD4, CD14, CCR5 KDM1A 4369/4885HTR2A 1496/4885SIGMAR1 2281/4885

“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.