SCHEMBL505350

SCHEMBL505350

Fc1cccc(-c2nc3c(o2)CCNC3)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.50
NOTUM Q6P988 2/20 0.43
HTR6 P50406 6/20 0.40
MAOB P27338 2/20 0.40
NISCH Q9Y2I1 1/20 0.38
HPN P05981 1/20 0.38
TP53 P04637 1/20 0.38
GUSB P08236 1/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
KCNH2 Q12809 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL19674831 0.84 HTR2A (0.47) HTR7NOTUMHTR6HTR2CHTR2B
SCHEMBL12490023 0.84 HTR2C (0.48) HTR7HTR2CHTR2BGPR119HTR2A
SCHEMBL505042 0.84 HTR7 (0.51) HTR7NOTUMHTR6MAOBTP53
SCHEMBL504617 0.84 NPC1 (0.52) HTR7NOTUMNISCHTP53
Hydrochloric Acid SCHEMBL504910 0.83 HTR2A (0.46) HTR7HTR6HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL504546 0.83 HTR2C (0.47) HTR7HTR2CHTR2BGPR119HTR2A
Hydrochloric Acid SCHEMBL505578 0.83 HTR7 (0.50) HTR7NOTUMHTR6MAOBTP53
SCHEMBL17984543 0.82 HTR6 (0.37) HTR7NOTUMHTR6HTR2CHTR2B
SCHEMBL504615 0.82 NOTUM (0.44) NOTUMMAOBGPR119
Hydrochloric Acid SCHEMBL19664813 0.81 HTR6 (0.36) HTR7NOTUMHTR6HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 HTR7 419/4885NOTUM 3205/4885HTR6 167/4885

“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.