SCHEMBL3211296

SCHEMBL3211296

CC(C)(C)N(C(=O)O)C1CC=C(c2c[nH]c3cccnc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.45
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 3/20 0.38
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 1/20 0.35
HTR1D P28221 5/20 0.35
CYP2C19 P33261 1/20 0.34
HTR1A P08908 1/20 0.33
HTR1E P28566 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKD1 Q15139 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33

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
SCHEMBL3227327 0.82 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL3225580 0.82 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL3211442 0.76 HTR1D (0.46) SLC6A4HTR1DHTR1AHTR1E
SCHEMBL7951141 0.74 HTR1D (0.41) HTR1DHTR1AHTR1E
SCHEMBL3653965 0.74 HTR1D (0.41) SLC6A4HTR1DHTR1AHTR1E
SCHEMBL3661903 0.73 HTR1D (0.44) SLC6A4SLC6A2NOS3NOS1HTR1D
SCHEMBL3214861 0.73 JAK3 (0.39) HTR1DHTR1AHTR1E
SCHEMBL3214716 0.73 NOS3 (0.46) SLC6A4SLC6A2NOS3NOS1HTR1D
SCHEMBL3217678 0.72 CDK7 (0.45) HTR1DHTR1AHTR1E
SCHEMBL3225505 0.69 JAK2 (0.46) HTR1DCYP2C19HTR1AHTR1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 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 (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-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR4, HTR3B SLC6A4 24/4885SLC6A2 132/4885SLC6A3 145/4885

“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.