SCHEMBL4892086

SCHEMBL4892086

COc1ccc2[nH]cc(CCOc3ccc(C=O)cc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.59
HTR1A P08908 5/20 0.59
CYP1A2 P05177 4/20 0.59
CYP2D6 P10635 3/20 0.59
HTR1D P28221 3/20 0.59
HTR1B P28222 3/20 0.59
HTR2C P28335 3/20 0.59
HTR7 P34969 3/20 0.59
HTR6 P50406 3/20 0.59
HTR4 Q13639 2/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
TRPM8 Q7Z2W7 1/20 0.59
BLM P54132 2/20 0.57
PMP22 Q01453 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GPR84 Q9NQS5 1/20 0.57
MTNR1A P48039 4/20 0.56
HTR2B P41595 4/20 0.56

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
SCHEMBL6527354 0.82 CYP1A2 (0.57) HTR2AHTR1ACYP1A2CYP2D6HTR1D
SCHEMBL6535395 0.82 GSK3B (0.54) HTR2ACYP1A2CYP2D6HTR1DHTR1B
SCHEMBL14197267 0.82 MEN1 (0.56) HTR2AHTR1ACYP1A2CYP2D6HTR1D
SCHEMBL15128313 0.80 HTR2A (0.73) HTR2AHTR1ACYP1A2CYP2D6HTR1D
SCHEMBL13240228 0.79 HTR2A (0.68) HTR2AHTR1ACYP1A2CYP2D6HTR1D
SCHEMBL25082440 0.77 HTR2A (0.68) HTR2AHTR1ACYP1A2CYP2D6HTR1D
SCHEMBL8717491 0.77 HTR1A (0.73) HTR2AHTR1ACYP1A2CYP2D6HTR1D
SCHEMBL24723360 0.76 GPR84 (0.69) HTR2AHTR1ACYP1A2CYP2D6HTR1D
SCHEMBL30942572 0.76 GPR84 (0.69) HTR2AHTR1ACYP1A2CYP2D6HTR1D
SCHEMBL6923232 0.76 HTR2A (0.72) HTR2AHTR1ACYP1A2CYP2D6HTR1D

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-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
EP-1189583-A4 INDOLE DERIVATIVES NEURIM PHARMA 1991 (IL) 2004-04-14 EP disclosed
EP-1189583-A1 INDOLE DERIVATIVES NEURIM PHARMACEUTICALS (1991) LIMITED (IL) 2002-03-27 EP disclosed
WO-2000072815-A1 INDOLE DERIVATIVES NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2000-12-07 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 (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 HTR2A 56/4885HTR1A 27/4885CYP1A2 75/4885

“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.