SCHEMBL4859320

SCHEMBL4859320

COc1ccc2[nH]cc(CCNC(=O)C3CCCO3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
MAPT P10636 1/20 1.00
KMT2A Q03164 3/20 0.77
MEN1 O00255 2/20 0.77
MTNR1A P48039 9/20 0.73
MTNR1B P49286 6/20 0.73
ALDH1A1 P00352 2/20 0.73
HPGD P15428 2/20 0.64
CYP1A1 P04798 1/20 0.64
MPO P05164 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
HTR1A P08908 1/20 0.64
CYP2D6 P10635 1/20 0.64
NQO2 P16083 1/20 0.64
HTR2B P41595 1/20 0.64
RAB9A P51151 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
CYP1B1 Q16678 1/20 0.64

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
SCHEMBL9192809 0.85 MTNR1A (0.92) KDM4EMAPTKMT2AMEN1MTNR1A
SCHEMBL4759323 0.84 MTNR1A (1.00) KDM4EMAPTKMT2AMEN1MTNR1A
Melatonin SCHEMBL5436811 0.81 MTNR1A (0.87) KDM4EMAPTKMT2AMEN1MTNR1A
SCHEMBL6678815 0.81 KDM4E (0.67) KDM4EMAPTKMT2AMEN1MTNR1A
Melatonin SCHEMBL8850894 0.80 MTNR1A (0.97) KDM4EMAPTKMT2AMEN1MTNR1A
SCHEMBL25210031 0.79 KDM4E (1.00) KDM4EMAPTKMT2AMEN1MTNR1A
SCHEMBL9295682 0.79 MTNR1A (0.76) KDM4EMAPTKMT2AMEN1MTNR1A
SCHEMBL4859324 0.79 KDM4E (0.65) KDM4EMAPTMTNR1AMTNR1BALDH1A1
SCHEMBL31381364 0.79 MEN1 (0.68) KDM4EMAPTKMT2AMEN1MTNR1A
Melatonin SCHEMBL28945310 0.79 MTNR1A (0.95) KDM4EMAPTKMT2AMEN1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7355054-B2 Indole derivatives NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2008-04-08 US claimed
US-20050159463-A1 Indole derivatives NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2005-07-21 US claimed
EP-1189583-B1 INDOLE DERIVATIVES NEURIM PHARMA 1991 (IL) 2005-07-20 EP claimed
EP-1189583-A4 INDOLE DERIVATIVES NEURIM PHARMA 1991 (IL) 2004-04-14 EP claimed
EP-1189583-A1 INDOLE DERIVATIVES NEURIM PHARMACEUTICALS (1991) LIMITED (IL) 2002-03-27 EP claimed
WO-2000072815-A1 INDOLE DERIVATIVES NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2000-12-07 WO claimed
US-7355054-B2 Indole derivatives NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2008-04-08 US disclosed
US-7355054-B2 Indole derivatives NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2008-04-08 US disclosed
US-20050159463-A1 Indole derivatives NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2005-07-21 US disclosed
EP-1189583-B1 INDOLE DERIVATIVES NEURIM PHARMA 1991 (IL) 2005-07-20 EP disclosed
US-6858642-B1 Indole derivatives NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2005-02-22 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 (1 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-20050159463-A1 Indole derivatives IDO1, IDO2, H1-0 KDM4E 303/4885MAPT 3887/4885KMT2A 475/4885

“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.