SCHEMBL6125303

SCHEMBL6125303

Cc1ccc2nc(C(F)(F)F)cc(N3CCN(C)CC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 1.00
▸ ADRA2A P08913 1/20 0.75
▸ HTR2C P28335 1/20 0.75
▸ AXL P30530 1/20 0.75
▸ HRH1 P35367 1/20 0.75
▸ HTR2B P41595 1/20 0.75
▸ HTR6 P50406 1/20 0.75
▸ MKNK1 Q9BUB5 1/20 0.75
▸ MKNK2 Q9HBH9 1/20 0.75
▸ HRH4 Q9H3N8 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CASP1 P29466 2/20 0.50
▸ CASP7 P55210 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PHGDH O43175 1/20 0.50
▸ ACHE P22303 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL14136364 0.87 ADRB2 (0.77) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL2244546 0.86 ADRB2 (1.00) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL13135657 0.86 ADRB2 (0.75) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL10268283 0.86 ADRB2 (0.75) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL6125222 0.84 ADRB2 (0.72) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL14046596 0.84 ADRB2 (0.72) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL6125250 0.84 ADRB2 (0.72) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL13135656 0.83 ADRB2 (0.70) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL1285720 0.83 ADRB2 (0.70) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL14136366 0.76 ADRB2 (0.61) ADRB2ADRA2AHTR2CAXLHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 — — EP disclosed
US-20090017112-A1 Compounds for Inhibiting Beta-Amyloid Production ROSKAMP RESEARCH LLC (US) 2009-01-15 — — 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 (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-20090017112-A1 Compounds for Inhibiting Beta-Amyloid Production PSEN1, PSEN2, APP ADRB2 1323/4885ADRA2A 792/4885HTR2C 3399/4885

“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.

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