SCHEMBL4919176

SCHEMBL4919176

CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 18/20 0.49
HTR7 P34969 17/20 0.49
DRD2 P14416 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
PDK2 Q15119 1/20 0.38

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
SCHEMBL4912255 0.84 PDK2 (0.55) PDK2
SCHEMBL5080883 0.78 APEX1 (0.35) PDK2
Hydrochloric Acid SCHEMBL4918890 0.77 HTR2B (0.56) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL5082289 0.75 PDK2 (0.43) PDK2
SCHEMBL5081756 0.74 PDK2 (0.34) PDK2
SCHEMBL4916196 0.74 HTR2B (0.55) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL4914483 0.73 HTR2B (0.52) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL4921111 0.72 HTR2B (0.73) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL5080936 0.71 PDK2 (0.32) PDK2
SCHEMBL4921101 0.70 HTR2B (0.65) HTR2BHTR7DRD2ADRA1DHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200551-A1 Flourene Derivative ASTELLAS PHARMA INC. (JP) 2008-08-21 US disclosed
US-20080171788-A1 Medicament For Irritable Bowel Syndrome ASTELLAS PHARMA INC. (JP) 2008-07-17 US disclosed
US-20080161419-A1 Prophylactic Antimigraine Agents ASTELLAS PHARMA INC. (JP) 2008-07-03 US disclosed
EP-1852129-A1 REMEDY FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2007-11-07 EP disclosed
EP-1716867-A1 PREVENTIVES FOR MIGRAINE Astellas Pharma Inc. (JP) 2006-11-02 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 (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-20080161419-A1 Prophylactic Antimigraine Agents HTR2B, HTR7, HTR1A HTR2B 1/4885HTR7 2/4885DRD2 258/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C HTR2B 1/4885HTR7 2/4885DRD2 97/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B HTR2B 4/4885HTR7 1/4885DRD2 351/4885

“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.