SCHEMBL22837641

SCHEMBL22837641

CCCCN1CCC(N(C)CCC)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
GNAO1 P09471 6/20 0.44
GNAI3 P08754 5/20 0.44
GNAI1 P63096 5/20 0.44
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL25122689 0.89 NOS3 (0.45) NOS3NOS1NOS2GNAO1GNAI3
SCHEMBL22848993 0.87 NOS3 (0.48) NOS3NOS1NOS2GNAO1GNAI3
SCHEMBL14258670 0.84 SLC18A3 (0.38) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL22793894 0.84 GNAO1 (0.47) NOS3NOS1NOS2GNAO1GNAI3
SCHEMBL23807033 0.82 NOS3 (0.42) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL4110445 0.82 GNAO1 (0.48) NOS3NOS1NOS2GNAO1GNAI3
SCHEMBL24691133 0.81 CYP1A2 (0.42) NOS3NOS1NOS2KMT2A
SCHEMBL23945263 0.81 NOS3 (0.46) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL23696231 0.81 PIK3CD (0.47) NOS3NOS1NOS2GNAO1GNAI3
SCHEMBL13162838 0.80 KDM4E (0.41) NOS3NOS1NOS2GNAO1GNAI3

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-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11679109-B2 SMARCA degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-06-20 US disclosed
US-10874743-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2020-12-29 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 (3 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-10874743-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NOS3 3425/4885NOS1 3662/4885NOS2 3629/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 NOS3 3933/4885NOS1 3885/4885NOS2 3868/4885
US-11679109-B2 SMARCA degraders and uses thereof SMARCA1, SMARCA2, SMARCC2 NOS3 3933/4885NOS1 3885/4885NOS2 3868/4885

“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.