SCHEMBL8252707

SCHEMBL8252707

CC(C)Cc1ccc(Br)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
CHRM1 P11229 2/20 0.36
PDE4A P27815 1/20 0.36
PTGS2 P35354 5/20 0.35
PTGS1 P23219 4/20 0.35
LMNA P02545 3/20 0.35
CYP2C9 P11712 3/20 0.35
AKR1C3 P42330 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
ESR1 P03372 2/20 0.35
NFKB1 P19838 2/20 0.35
HTR2A P28223 2/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
ALB P02768 1/20 0.35
ALOX5 P09917 1/20 0.35
RARB P10826 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL5018733 0.84 GABRA1 (0.44) GABRA1GABRB2CHRM1PDE4APTGS2
SCHEMBL2623873 0.81 GABRA1 (0.48) GABRA1GABRB2CHRM1PTGS2PTGS1
SCHEMBL9176216 0.81 GABRA1 (0.48) GABRA1GABRB2CHRM1PTGS2PTGS1
SCHEMBL18806900 0.81 KDM1A (0.39) CYP2C9HCRTR2AKT1CYP1A2CYP2D6
SCHEMBL17275650 0.80 CYP1A2 (0.33) CHRM1PTGS2LMNACYP2C9ESR1
SCHEMBL17275630 0.80 TP53 (0.47) PTGS2PTGS1CYP2C9TSHRHCRTR2
SCHEMBL4080158 0.78 NPSR1 (0.40) LMNAHTR2AMEN1KMT2AMAPT
SCHEMBL11809009 0.78 GABRA1 (0.55) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL13963069 0.78 GABRA1 (0.46) GABRA1GABRB2CHRM1PDE4APTGS2
SCHEMBL2624184 0.78 GABRA1 (0.46) GABRA1GABRB2CHRM1PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20090030039-A1 Piperidine Derivatives as Cxcr3 Receptor Antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-01-29 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 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 (4 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-20090030039-A1 Piperidine Derivatives as Cxcr3 Receptor Antagonists CXCR3, CXCR1, CXCR2 GABRA1 532/4885GABRB2 1159/4885CHRM1 47/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 GABRA1 1419/4885GABRB2 1157/4885CHRM1 1161/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 GABRA1 2277/4885GABRB2 1703/4885CHRM1 4850/4885
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E GABRA1 4425/4885GABRB2 4409/4885CHRM1 4427/4885

“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.