SCHEMBL2004993

SCHEMBL2004993

COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)N1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.66
AKR1C3 P42330 8/20 0.65
AKR1C2 P52895 7/20 0.65
LMNA P02545 4/20 0.64
CYP1A2 P05177 4/20 0.64
CYP2C9 P11712 4/20 0.64
HIF1A Q16665 3/20 0.64
NPSR1 Q6W5P4 3/20 0.64
TSHR P16473 3/20 0.64
CYP2D6 P10635 2/20 0.64
NFKB1 P19838 2/20 0.64
PMP22 Q01453 3/20 0.61
AKR1C4 P17516 2/20 0.61
AKR1C1 Q04828 2/20 0.61
MEN1 O00255 2/20 0.61
MAPT P10636 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 2/20 0.61
PTGS2 P35354 2/20 0.61
PTGES O14684 1/20 0.61

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
SCHEMBL2004647 0.90 AKR1C3 (0.64) CNR2AKR1C3AKR1C2LMNACYP1A2
SCHEMBL2005522 0.89 AKR1C3 (0.63) CNR2AKR1C3AKR1C2LMNACYP1A2
SCHEMBL2005253 0.85 PTGS1 (0.58) CNR2AKR1C3AKR1C2LMNACYP1A2
SCHEMBL10876035 0.82 AKR1C3 (0.76) AKR1C3AKR1C2LMNACYP1A2CYP2C9
SCHEMBL2008730 0.81 AKR1C3 (0.64) AKR1C3AKR1C2LMNACYP1A2CYP2C9
SCHEMBL2004091 0.81 PTGS1 (0.48) CNR2AKR1C3AKR1C2LMNACYP1A2
SCHEMBL2008278 0.81 PTGS1 (0.63) CNR2AKR1C3AKR1C2LMNACYP1A2
SCHEMBL2002180 0.80 AKR1C3 (0.65) AKR1C3AKR1C2LMNACYP1A2CYP2C9
SCHEMBL2010113 0.80 AKR1C3 (0.65) AKR1C3AKR1C2LMNACYP1A2CYP2C9
SCHEMBL2073076 0.80 AKR1C3 (0.68) AKR1C3AKR1C2LMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 EP claimed
US-20050004104-A1 Methods for the protection of memory and cognition IRONWOOD PHARMACEUTICALS, INC. 2005-01-06 US claimed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 WO claimed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
EP-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 EP disclosed
US-20050234030-A1 Modulators of CRTH2, COX-2 and FAAH IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050004104-A1 Methods for the protection of memory and cognition IRONWOOD PHARMACEUTICALS, INC. 2005-01-06 US disclosed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 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 (5 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-20050004104-A1 Methods for the protection of memory and cognition PTGES2, PTGS2, PTGS1 CNR2 393/4885AKR1C3 2613/4885AKR1C2 1928/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 CNR2 20/4885AKR1C3 1274/4885AKR1C2 1417/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 CNR2 11/4885AKR1C3 1451/4885AKR1C2 1219/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT CNR2 28/4885AKR1C3 970/4885AKR1C2 848/4885
US-20050234030-A1 Modulators of CRTH2, COX-2 and FAAH FAAH2, FAAH, PTGES2 CNR2 6/4885AKR1C3 1303/4885AKR1C2 1007/4885

“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.