SCHEMBL433176

SCHEMBL433176

[C]1CCOc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
HTT P42858 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.39
GAA P10253 1/20 0.33
KEAP1 Q14145 1/20 0.32
NOTUM Q6P988 1/20 0.31
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
PDK1 Q15118 1/20 0.30

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
SCHEMBL1450831 1.00 ITGB2 (0.50) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL338807 0.87 ITGB2 (0.46) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL158579 0.76
SCHEMBL1593140 0.72 MAOA (0.45) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL9584128 0.71 ALDH1A1 (0.44) SMN1; SMN2LMNAGAAPKM
SCHEMBL577551 0.71 FABP6 (0.40) SMN1; SMN2PKMMAOAMAOB
SCHEMBL9585550 0.71 FABP6 (0.40) SMN1; SMN2PKMMAOAMAOB
SCHEMBL7298481 0.71 MAP3K14 (0.42) MAOB
SCHEMBL1593196 0.71 PKM (0.47) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL7298128 0.71 MAP3K14 (0.42) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP claimed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 CN claimed
US-20140357655-A1 SPIROINDOLINE DERIVATIVES AS GONADOTROPIN- RELEASING HORMONE RECEPTOR ANTAGONISTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-04 US claimed
EP-2804867-A1 SPIROINDOLINE DERIVATIVES AS GONADOTROPIN- RELEASING HORMONE RECEPTOR ANTAGONISTS Bayer Intellectual Property GmbH (DE) 2014-11-26 EP claimed
WO-2013107743-A1 SPIROINDOLINE DERIVATIVES AS GONADOTROPIN- RELEASING HORMONE RECEPTOR ANTAGONISTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 WO claimed
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US claimed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US claimed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US claimed
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP claimed
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP claimed
WO-2004033632-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO claimed
WO-2004032846-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO claimed
US-20040067996-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY 2004-04-08 US claimed
US-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US claimed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP claimed
WO-2004012663-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 WO claimed
US-20030229081-A1 Uracil derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-12-11 US claimed
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-10 US claimed
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-08 US claimed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20030229081-A1 Uracil derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and matrix metalloproteinases UNG, IDUA, TNF ITGB2 4037/4885ICAM1 2085/4885ITGAL 2281/4885
US-20040067996-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, ADAMTS1 ITGB2 3823/4885ICAM1 787/4885ITGAL 1693/4885
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 ITGB2 861/4885ICAM1 965/4885ITGAL 748/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 ITGB2 2807/4885ICAM1 970/4885ITGAL 2129/4885
US-20140357655-A1 SPIROINDOLINE DERIVATIVES AS GONADOTROPIN- RELEASING HORMONE RECEPTOR ANTAGONISTS GNRHR, FSHR, NR5A1 ITGB2 4388/4885ICAM1 4506/4885ITGAL 3461/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 ITGB2 3021/4885ICAM1 1092/4885ITGAL 2513/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 ITGB2 3288/4885ICAM1 1197/4885ITGAL 2395/4885
US-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme MMP9, ADAM17, MMP3 ITGB2 3914/4885ICAM1 1154/4885ITGAL 1994/4885

“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.