SCHEMBL3131785

SCHEMBL3131785

Brc1ccc2[nH]cc(CCc3ccccn3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.57
TRPM8 Q7Z2W7 1/20 0.57
GPR84 Q9NQS5 1/20 0.55
SLC6A4 P31645 3/20 0.51
HTR1A P08908 4/20 0.51
CSNK2A1 P68400 1/20 0.49
ALDH1A1 P00352 1/20 0.48
AGTR1 P30556 1/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
ADRA2A P08913 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1E P28566 1/20 0.48
HTR7 P34969 1/20 0.48
ADRA1A P35348 1/20 0.48

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
SCHEMBL734448 0.83 HTR2A (0.56) HTR2AGPR84SLC6A4HTR1AALDH1A1
SCHEMBL5430044 0.82 HTR2A (0.80) HTR2ATRPM8GPR84SLC6A4HTR1A
SCHEMBL3783656 0.79 HTR2A (0.65) HTR2ATRPM8GPR84SLC6A4HTR1A
SCHEMBL22128363 0.77 CHRNB2 (0.51) GPR84ALDH1A1AGTR1ADRA1AADRA1B
SCHEMBL14297181 0.76 HTR2C (0.56) HTR2ASLC6A4HTR1AALDH1A1HTR1D
SCHEMBL3128658 0.75 GSK3B (0.46) HTR2ASLC6A4HTR1AALDH1A1HTR1D
SCHEMBL3128671 0.75 GSK3B (0.46) HTR2ASLC6A4HTR1AALDH1A1HTR1D
SCHEMBL31744659 0.75 HTR2A (0.69) HTR2ATRPM8GPR84SLC6A4HTR1A
SCHEMBL6640808 0.75 HTR2A (0.73) HTR2ATRPM8GPR84SLC6A4HTR1A
SCHEMBL11358021 0.74 SLC6A4 (0.67) HTR2ATRPM8GPR84SLC6A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141148-B1 INDOLE DERIVATIVE HAVING CPLA2 INHIBITORY ACTIVITY, USE OF THE SAME AND METHOD FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-07-03 EP disclosed
US-8293781-B2 Indole derivatives having cPLA2 inhibiting activity and applications and production methods of the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8293781-B2 Indole derivatives having cPLA2 inhibiting activity and applications and production methods of the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8293781-B2 Indole derivatives having cPLA2 inhibiting activity and applications and production methods of the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-06 US disclosed
US-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-06 US disclosed
US-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-06 US disclosed
EP-2141148-A1 INDOLE DERIVATIVE HAVING CPLA2 INHIBITORY ACTIVITY, USE OF THE SAME AND METHOD FOR PRODUCING THE SAME Asubio Pharma Co., Ltd. (JP) 2010-01-06 EP 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-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME PLA2G4A, PLA2G2E, PLA2G6 HTR2A 75/4885TRPM8 1123/4885GPR84 1590/4885

“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.