SCHEMBL24176193

SCHEMBL24176193

Cc1cccc(OCC2CCNC2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.63
SLC6A4 P31645 6/20 0.63
SLC6A3 Q01959 3/20 0.63
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
KCNH2 Q12809 4/20 0.51
HTR3A P46098 2/20 0.51
KDM1A O60341 5/20 0.48
RCOR1 Q9UKL0 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
CHRM3 P20309 3/20 0.46
HTR2C P28335 2/20 0.45
HTR2B P41595 1/20 0.45
PRKCZ Q05513 1/20 0.44

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
SCHEMBL17277362 1.00 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL17277533 1.00 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL16787789 0.91 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3NOS3NOS1
Hydrochloric Acid SCHEMBL1474821 0.90 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL17277334 0.88 SSTR4 (0.48) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL17277590 0.83 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL12075488 0.83 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL12647108 0.82 TLR4 (0.49) NOS3NOS1NOS2
SCHEMBL3718507 0.82 TLR4 (0.49) NOS3NOS1NOS2
SCHEMBL9923476 0.82 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KCNH2HTR3A

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
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2022-01-06 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-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 SLC6A2 3465/4885SLC6A4 4348/4885SLC6A3 4352/4885
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 SLC6A2 3465/4885SLC6A4 4348/4885SLC6A3 4352/4885

“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.