SCHEMBL21180382

SCHEMBL21180382

CCCC(C)(C)C1CCCCN1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.35
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL22022347 1.00 CCR2 (0.35) CCR2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL19787861 0.94 KDM4E (0.33) CYP1A2
SCHEMBL21191731 0.89 CYP1A2 (0.36) CCR2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL23634135 0.87 CCR2 (0.38) CCR2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL22023689 0.85 CCR2 (0.40) CCR2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL21191753 0.84 CCR2 (0.35) CCR2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL22570154 0.83 CCR2 (0.32) CCR2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL17307730 0.83 CCR2 (0.32) CCR2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL21707875 0.82 PRCP (0.35) CYP1A2
SCHEMBL23845837 0.81 CCR2 (0.33) CCR2

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-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-10357497-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis Biohaven Pharmaceutical Holding Company Limited (US) 2019-07-23 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-10357497-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis CYP1A2, CYP3A5, UGT1A1 CCR2 3490/4885SLC6A2 697/4885SLC6A4 1682/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 CCR2 274/4885SLC6A2 3987/4885SLC6A4 2780/4885

“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.