SCHEMBL1601162

SCHEMBL1601162

O=C(O)c1nn(CCN2CCOCC2)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.63
CNR1 P21554 3/20 0.63
HTR7 P34969 2/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KCNH2 Q12809 1/20 0.47
HTR4 Q13639 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL7550775 0.88 CNR2 (0.62) CNR2CNR1HTR7HTTKMT2A
SCHEMBL7550761 0.85 CNR2 (0.67) CNR2CNR1HTR7HTTKMT2A
SCHEMBL7556631 0.82 CNR1 (0.64) CNR2CNR1KMT2AKCNH2HTR4
SCHEMBL9323662 0.82 CNR1 (0.53) CNR2CNR1HTR7HTTKMT2A
SCHEMBL16173745 0.81 CNR2 (0.66) CNR2CNR1KMT2ACYP3A4CYP2D6
SCHEMBL15882124 0.81 ROCK1 (0.53) CNR2CNR1KMT2ATSHRCYP1A2
SCHEMBL5438502 0.79 TSHR (0.54) CNR2CNR1KMT2AMAPTTSHR
SCHEMBL31429522 0.79 TSHR (0.54) CNR2CNR1KMT2AMAPTTSHR
SCHEMBL13502767 0.78 CNR2 (1.00) CNR2CNR1KMT2AALDH1A1KCNH2
SCHEMBL15882181 0.78 HTR4 (0.48) CNR2CNR1TSHRCYP1A2CYP3A4

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
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US claimed
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007058990-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-24 WO disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 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 (4 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-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A CNR2 2697/4885CNR1 2862/4885HTR7 4233/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A CNR2 2697/4885CNR1 2862/4885HTR7 4233/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B CNR2 221/4885CNR1 375/4885HTR7 4375/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A CNR2 2697/4885CNR1 2862/4885HTR7 4233/4885

“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.