SCHEMBL3011391

SCHEMBL3011391

Cc1ccc2c(c1)c(C(=O)C(=O)NN1CCCCC1)c(C)n2Cc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.58
USP14 P54578 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
AKR1B1 P15121 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
CACNB4 O00305 1/20 0.44
CACNA1A O00555 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNG3 O60359 1/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNB3 P54284 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNG7 P62955 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNG1 Q06432 1/20 0.44

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
SCHEMBL2995067 0.94 FAAH (0.51) FAAHMEN1KMT2AHTTLMNA
SCHEMBL4099162 0.89 PLA2G2A (0.56) FAAHUSP14MEN1KMT2AHTT
SCHEMBL2992971 0.83 FAAH (0.57) FAAHMEN1KMT2AHTTMAPT
SCHEMBL4388976 0.81 ALDH1A1 (0.50) FAAHUSP14MEN1KMT2ALMNA
SCHEMBL2169467 0.80 FAAH (0.70) FAAHMEN1KMT2AHTTPTGES
SCHEMBL2169902 0.78 FAAH (0.71) FAAHMEN1KMT2AHTTSMN1; SMN2
SCHEMBL2169486 0.78 FAAH (0.77) FAAHMEN1KMT2AHTTLMNA
SCHEMBL4083893 0.77 CNR2 (0.50) FAAHMEN1KMT2ALMNAPKM
SCHEMBL6191921 0.76 FAAH (0.59) FAAHMEN1KMT2AHTTAKR1B1
SCHEMBL2169121 0.76 FAAH (0.82) FAAHMEN1KMT2AHTTPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN 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 (2 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 FAAH 109/4885USP14 3021/4885MEN1 3970/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885USP14 932/4885MEN1 4573/4885

“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.