SCHEMBL2168588

SCHEMBL2168588

COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccccc1)c(C(C)C)n2Cc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 3/20 0.53
PLA2G2A P14555 4/20 0.50
FAAH O00519 1/20 0.50
MEN1 O00255 1/20 0.50
RGS12 O14924 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
GNAI1 P63096 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL2170343 0.91 FAAH (0.55) S1PR3PLA2G2AFAAHMEN1RGS12
SCHEMBL2169256 0.90 PDE4A (0.55) S1PR3PLA2G2AFAAHMEN1RGS12
SCHEMBL3001895 0.89 PLA2G2A (0.53) PLA2G2AFAAHMEN1RGS12ALDH1A1
SCHEMBL2168465 0.88 PLA2G2A (0.66) PLA2G2AFAAHMEN1RGS12ALDH1A1
SCHEMBL3000280 0.85 PLA2G2A (0.49) PLA2G2AFAAHMEN1RGS12ALDH1A1
SCHEMBL2991095 0.84 FAAH (0.55) PLA2G2AFAAHMEN1RGS12ALDH1A1
SCHEMBL3006103 0.84 MEN1 (0.50) S1PR3PLA2G2AFAAHMEN1RGS12
SCHEMBL2169439 0.83 FAAH (0.67) PLA2G2AFAAHMEN1RGS12ALDH1A1
SCHEMBL4099723 0.83 FAAH (0.54) PLA2G2AFAAHMEN1RGS12ALDH1A1
SCHEMBL2169190 0.82 MAPT (0.55) PLA2G2AFAAHMEN1RGS12ALDH1A1

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
US-20130224151-A1 Use of FAAH Inhibitors for Treating Abdominal, Visceral and Pelvic Pain UNITED STATES OF AMERICA (US) 2013-08-29 US claimed
WO-2011123719-A2 USE OF FAAH INHIBITORS FOR TREATING ABDOMINAL, VISCERAL AND PELVIC PAIN IRONWOOD PHARMACEUTICALS, INC. (US) 2011-10-06 WO claimed
WO-2011085216-A2 USE OF FAAH INHIBITORS FOR TREATING PARKINSON'S DISEASE AND RESTLESS LEGS SYNDROME IRONWOOD PHARMACEUTICALS, INC. (US) 2011-07-14 WO claimed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US claimed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US claimed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-20130224151-A1 Use of FAAH Inhibitors for Treating Abdominal, Visceral and Pelvic Pain UNITED STATES OF AMERICA (US) 2013-08-29 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome QUEST VENTURES LTD. (GB) 2013-06-13 US disclosed
WO-2011123719-A2 USE OF FAAH INHIBITORS FOR TREATING ABDOMINAL, VISCERAL AND PELVIC PAIN IRONWOOD PHARMACEUTICALS, INC. (US) 2011-10-06 WO disclosed
WO-2011085216-A2 USE OF FAAH INHIBITORS FOR TREATING PARKINSON'S DISEASE AND RESTLESS LEGS SYNDROME IRONWOOD PHARMACEUTICALS, INC. (US) 2011-07-14 WO disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 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-20130224151-A1 Use of FAAH Inhibitors for Treating Abdominal, Visceral and Pelvic Pain FAAH, FAAH2, PNLIP S1PR3 624/4885PLA2G2A 26/4885FAAH 1/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 S1PR3 1215/4885PLA2G2A 3285/4885FAAH 109/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 S1PR3 411/4885PLA2G2A 242/4885FAAH 1/4885
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome FAAH, FAAH2, MGLL S1PR3 304/4885PLA2G2A 108/4885FAAH 1/4885

“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.