SCHEMBL8737249

SCHEMBL8737249

Cc1cnc(C(C)C)c2ccoc12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31

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
SCHEMBL8737251 0.86 HTR2A (0.31) HTR2AHTR2CHTR2BCCR1CCR5
SCHEMBL6124144 0.84 HSP90AB1 (0.35) HTR2AHTR2CHTR2B
SCHEMBL8737765 0.79 CCR1 (0.35) HTR2ADRD2DRD3HTR2BCCR1
SCHEMBL6127805 0.77 KCNA2 (0.33) HTR2AHTR2CHTR2B
SCHEMBL8736924 0.76 HSP90AB1 (0.32) HTR2AHTR2CHTR2B
SCHEMBL30110578 0.74 DRD2 (0.33) HTR2ADRD2DRD3CCR1CCR5
SCHEMBL15688334 0.74 NOS2 (0.41) HTR2ADRD2DRD3CCR1CCR5
SCHEMBL1698415 0.74 DRD2 (0.33) HTR2ADRD2DRD3CCR1CCR5
SCHEMBL13154921 0.71 PLAU (0.46) CCR1CCR5CCR8
SCHEMBL6127826 0.70 HSP90AB1 (0.35) HTR2AHTR2CHTR2B

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-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 US disclosed
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US 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 (5 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-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HTR2A 2579/4885DRD2 4667/4885DRD3 4578/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP HTR2A 2426/4885DRD2 4498/4885DRD3 4300/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HTR2A 2317/4885DRD2 4735/4885DRD3 4544/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HTR2A 2307/4885DRD2 4702/4885DRD3 4499/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 HTR2A 1845/4885DRD2 4580/4885DRD3 4445/4885

“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.