SCHEMBL3376891

SCHEMBL3376891

CC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)Oc1cccc2c1CCN2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
OPRK1 P41145 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
ADRA2A P08913 4/20 0.30
ADRA2B P18089 4/20 0.30
ADRA2C P18825 4/20 0.30
NISCH Q9Y2I1 1/20 0.30

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
SCHEMBL17785789 0.76 BACE1 (0.36) S1PR1S1PR3ADRA2AADRA2BADRA2C
SCHEMBL3376187 0.75 ADRA2A (0.35) ADRB2ADRB1HTR1AOPRK1S1PR1
SCHEMBL20373858 0.72 NISCH (0.42) S1PR1S1PR3ADRA2AADRA2BADRA2C
SCHEMBL7737243 0.71 PARP1 (0.35) ADRB2ADRB1HTR1AOPRK1S1PR1
SCHEMBL31161854 0.71 RET (0.32) S1PR1S1PR3
SCHEMBL3373757 0.70 HTR1A (0.43) ADRB2ADRB1HTR1AOPRK1
SCHEMBL15311619 0.70 NOTUM (0.37) HTR1AS1PR1S1PR3
SCHEMBL14842638 0.68 ADRA2A (0.35) HTR1AADRA2AADRA2BADRA2CNISCH
SCHEMBL31158955 0.67 HSD11B1 (0.41) HTR1AADRA2A
SCHEMBL927341 0.67 HSD11B1 (0.41) HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757585-B1 Anionically substituted 7-Nitroindoline derivatives and their uses MEDICAL RES COUNCIL (GB) 2010-12-01 EP disclosed
US-7737169-B2 Anionically substituted 7-nitroindoline derivatives and their uses MEDICAL RESEARCH COUNCIL (GB) 2010-06-15 US disclosed
US-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2007-08-30 US disclosed
EP-1757585-A1 Anionically substituted 7-Nitroindoline derivatives and their uses Medical Research Council (GB) 2007-02-28 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-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses SLC18A3, SLC18A1, SLC18A2 ADRB2 191/4885ADRB1 237/4885HTR1A 155/4885

“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.