SCHEMBL1039877

SCHEMBL1039877

CCCCNc1ncnc2c(OC)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.56
ADRA1D P25100 2/20 0.56
ADRA1A P35348 2/20 0.56
ADRA1B P35368 2/20 0.56
EGFR P00533 1/20 0.54
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
S1PR2 O95136 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PDE5A O76074 4/20 0.52
AURKA O14965 3/20 0.49
RPS6KB1 P23443 3/20 0.49
UTS2R Q9UKP6 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL8832636 0.82 TOP2A (0.51) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL1039242 0.82 SMN1; SMN2 (0.55) LMNASMN1; SMN2S1PR2NPSR1RPS6KB1
SCHEMBL29853721 0.79 PDE5A (0.53) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL30808243 0.77 EGFR (0.59) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL9609099 0.77 RPS6KB1 (0.52) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL20434213 0.77 HTR1A (0.87) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL18180893 0.76 HTR1A (0.90) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL9206939 0.73 EGFR (0.66) EGFRLMNASMN1; SMN2NPSR1KDM4E
SCHEMBL11254575 0.73 LDHA (0.67) EGFRLMNASMN1; SMN2S1PR2NPSR1
SCHEMBL9214074 0.72 EGFR (0.64) EGFRLMNASMN1; SMN2AURKAKDM4E

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
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7148221-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-12 US disclosed
US-7144888-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-05 US disclosed
EP-1717220-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-11-02 EP disclosed
EP-1688408-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-08-09 EP disclosed
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 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 (3 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-20050272777-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 HTR1A 118/4885ADRA1D 379/4885ADRA1A 512/4885
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 HTR1A 118/4885ADRA1D 379/4885ADRA1A 512/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 HTR1A 93/4885ADRA1D 306/4885ADRA1A 401/4885

“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.