SCHEMBL9883264

SCHEMBL9883264

CCc1ccc2c(O)nccc2c1Br

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
FEN1 P39748 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
SCHEMBL9883160 0.79 CYP1A2 (0.34) GABRA1GABRB2PDE3BPDE3A
SCHEMBL15047873 0.77 CCR1 (0.38) SMN1; SMN2
SCHEMBL5676851 0.73 GABRA1 (0.43) GABRA1GABRB2HPGDSMN1; SMN2
SCHEMBL9880930 0.72 CA2 (0.31) FEN1
SCHEMBL6177593 0.67 GABRA1 (0.50) GABRA1GABRB2PDE3BPDE3AHPGD
SCHEMBL12658939 0.67 GABRA1 (0.68) GABRA1GABRB2
SCHEMBL26933489 0.67 IMPDH2 (0.56) GABRA1GABRB2SMN1; SMN2
SCHEMBL17679287 0.66 GABRA1 (0.48) GABRA1GABRB2PDE3BPDE3AHPGD
SCHEMBL27483211 0.66 NOS2 (0.44) GABRA1GABRB2NOS3NOS1NOS2
SCHEMBL27468221 0.66 GABRA1 (0.38) GABRA1GABRB2NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394826-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2013-03-12 US disclosed
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2010-11-04 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 (2 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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 GABRA1 2784/4885GABRB2 2405/4885PDE3B 207/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 GABRA1 2991/4885GABRB2 1753/4885PDE3B 111/4885

“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.