SCHEMBL3985723

SCHEMBL3985723

NC1(OCc2ccccc2)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
IDO1 P14902 1/20 0.43
DHFR P00374 2/20 0.42
AGXT P21549 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
TSHR P16473 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
SCHEMBL3411538 0.98 MAOA (0.45) MAOAMAOBIDO1DHFRAGXT
SCHEMBL10942039 0.80 TSHR (0.44) IDO1DHFRAGXTOPRM1OPRD1
SCHEMBL11587465 0.77 TSHR (0.41) IDO1DHFRAGXTOPRM1OPRD1
SCHEMBL11540623 0.77 TSHR (0.41) IDO1DHFRAGXTOPRM1OPRD1
SCHEMBL2237483 0.77 TSHR (0.41) IDO1DHFRAGXTOPRM1OPRD1
SCHEMBL21638945 0.74 TSHR (0.43) IDO1AGXTOPRM1OPRD1OPRK1
SCHEMBL3645094 0.74 DHFR (0.38) IDO1DHFR
SCHEMBL6729320 0.72 TSHR (0.36) DHFROPRM1OPRD1OPRK1OPRL1
SCHEMBL19745328 0.72 SLC1A3 (0.45) TSHR
SCHEMBL31187955 0.71 MAOA (0.45) MAOAMAOBIDO1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009056993-A2 A PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-07 WO claimed
EP-4217357-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER Auckland Uniservices Limited (NZ) 2023-08-02 EP disclosed
WO-2022064430-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2022-03-31 WO disclosed
WO-2009056993-A2 A PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-07 WO disclosed
US-7479491-B2 Azanthranylalkyl and -cycloalkyl amides and their use as VEGF receptor inhibitors NOVARTIS AG (CH) 2009-01-20 US disclosed
US-6900353-B2 Cyclopentyl sulfonamide derivatives ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
US-20050054692-A1 Azanthranylalkyl and -cycloalkyl amides and their use as VEGF receptor inhibitors SEIDELMANN DIETER (DE) 2005-03-10 US disclosed
US-6818661-B2 FOR THERAPY OF PSORIASIS, ARTHRITIS, SUCH AS RHEUMATOID ARTHRITIS, HAEMANGIOMA, ANGIOFIBROMA, EYE DISEASES SUCH AS DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, KIDNEY DISEASES SUCH AS GLOMERULONEPHRITIS, DIABETIC NEPHROPATHY NOVARTIS AG (CH) 2004-11-16 US disclosed
US-20040067984-A1 Cyclopentyl sulfonamide derivatives CANTRELL BUDDY EUGENE (US) 2004-04-08 US disclosed
US-20030176469-A1 Anthranylalkyl and cycloalkyl amides and use thereof as vegf receptor inhibitors NOVARTIS AG (CH) 2003-09-18 US disclosed
EP-1334087-A1 CYCLOALKYLFLUOROSULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-08-13 EP disclosed
WO-2002032858-A1 CYCLOALKYLFLUOROSULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-04-25 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-20040067984-A1 Cyclopentyl sulfonamide derivatives GRIN2A, GRIN1, GRIK5 MAOA 1053/4885MAOB 1368/4885IDO1 2471/4885
US-20050054692-A1 Azanthranylalkyl and -cycloalkyl amides and their use as VEGF receptor inhibitors KDR, VEGFA, FLT1 MAOA 729/4885MAOB 987/4885IDO1 2031/4885
US-20030176469-A1 Anthranylalkyl and cycloalkyl amides and use thereof as vegf receptor inhibitors KDR, FLT1, VEGFA MAOA 1441/4885MAOB 2114/4885IDO1 2270/4885

“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.