SCHEMBL422827

SCHEMBL422827

CC(=O)NCCCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.68
POLB P06746 2/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
KMT2A Q03164 1/20 0.67
HPGD P15428 2/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
GAA P10253 1/20 0.66
EPHX2 P34913 1/20 0.64
MTNR1A P48039 1/20 0.62
MTNR1B P49286 1/20 0.62
KDM4E B2RXH2 2/20 0.62
EPHX1 P07099 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.61
CNR1 P21554 1/20 0.60
TAAR1 Q96RJ0 1/20 0.60

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
SCHEMBL425223 0.94 TRPV1 (0.65) L3MBTL1POLBCYP2D6CYP2C9CYP2C19
SCHEMBL16658697 0.93 TRPV1 (0.68) L3MBTL1POLBCYP2D6CYP2C9CYP2C19
SCHEMBL16658698 0.93 TRPV1 (0.68) L3MBTL1POLBCYP2D6CYP2C9CYP2C19
SCHEMBL16658733 0.93 TRPV1 (0.68) L3MBTL1POLBCYP2D6CYP2C9CYP2C19
SCHEMBL5462618 0.93 TRPV1 (0.68) L3MBTL1POLBCYP2D6CYP2C9CYP2C19
SCHEMBL16658695 0.93 TRPV1 (0.68) L3MBTL1POLBCYP2D6CYP2C9CYP2C19
SCHEMBL16658696 0.93 TRPV1 (0.68) L3MBTL1POLBCYP2D6CYP2C9CYP2C19
SCHEMBL28286779 0.92 L3MBTL1 (0.58) L3MBTL1POLBCYP2D6CYP2C9CYP2C19
SCHEMBL7858 0.88 KDM4E (0.69) KMT2AHPGDNPC1RAB9AMTNR1A
SCHEMBL24814128 0.88 L3MBTL1 (0.68) L3MBTL1POLBCYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. 2008-06-05 US claimed
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 EP claimed
EP-1708992-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-10-11 EP claimed
EP-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 EP claimed
EP-1624868-A1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS Pfizer Limited (GB) 2006-02-15 EP claimed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO claimed
WO-2005080324-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO claimed
EP-1501797-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-02-02 EP claimed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO claimed
WO-2004100950-A1 ‘(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)-PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LIMITED (GB) 2004-11-25 WO claimed
US-20040006123-A1 Interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-08 US claimed
WO-2003091214-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO AVENTIS PHARMACEUTICALS INC. (US) 2003-11-06 WO claimed
CN-112334454-B Environment-friendly olefin hydration reaction 佐治亚州立大学研究基金会公司 2024-04-30 CN disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 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 (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-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B L3MBTL1 4292/4885POLB 1669/4885CYP2D6 132/4885
US-20040006123-A1 Interleukin-4 gene expression inhibitors IL4, STAT4, BCL6 L3MBTL1 930/4885POLB 3666/4885CYP2D6 744/4885
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS IL4, STAT4, STAT6 L3MBTL1 832/4885POLB 3639/4885CYP2D6 737/4885

“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.