SCHEMBL1601264

SCHEMBL1601264

COc1c(C(=O)NC2CC2)cccc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
CNR1 P21554 5/20 0.49
CNR2 P34972 5/20 0.49
SLC6A12 P48065 1/20 0.49
P2RX7 Q99572 1/20 0.48
DRD3 P35462 1/20 0.47
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTK2 Q05397 1/20 0.43

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
SCHEMBL17194898 0.82 CNR1 (0.60) TAS1R3TAS1R1TAS1R2CNR1CNR2
SCHEMBL24252069 0.81 NR1H4 (0.59) NR1H4RAB9ANPC1
SCHEMBL24857978 0.80 P2RX7 (0.66) TAS1R3TAS1R1TAS1R2P2RX7RAB9A
SCHEMBL24857976 0.80 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2P2RX7RAB9A
SCHEMBL24252034 0.77 NR1H4 (0.58) NR1H4RAB9ANPC1MEN1KMT2A
SCHEMBL8609341 0.77 NR1H4 (0.55) NR1H4RAB9ANPC1MEN1KMT2A
SCHEMBL13310657 0.77 RAB9A (0.59) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL13310656 0.77 RAB9A (0.63) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL3455418 0.76 RAB9A (0.71) CNR1CNR2RAB9ANPC1MEN1
SCHEMBL7796386 0.76 NR1H4 (0.56) NR1H4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NR1H4 1877/4885TAS1R3 4032/4885TAS1R1 3333/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A NR1H4 1877/4885TAS1R3 4032/4885TAS1R1 3333/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B NR1H4 1342/4885TAS1R3 3761/4885TAS1R1 3330/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A NR1H4 1877/4885TAS1R3 4032/4885TAS1R1 3333/4885

“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.