SCHEMBL21531141

SCHEMBL21531141

CC(C)C(NC(=O)O)C(=O)N1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.80
KCNH2 Q12809 1/20 0.79

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
SCHEMBL2160602 0.89 CCR1 (1.00) CCR1KCNH2
SCHEMBL10291652 0.89 CCR1 (0.91) CCR1KCNH2
SCHEMBL2159609 0.88 CCR1 (1.00) CCR1KCNH2
SCHEMBL2159606 0.88 CCR1 (1.00) CCR1KCNH2
SCHEMBL10291998 0.88 CCR1 (0.91) CCR1KCNH2
SCHEMBL10291544 0.88 CCR1 (0.77) CCR1KCNH2
SCHEMBL2159374 0.87 CCR1 (1.00) CCR1KCNH2
SCHEMBL2160509 0.87 CCR1 (1.00) CCR1KCNH2
SCHEMBL2159411 0.87 CCR1 (0.81) CCR1KCNH2
SCHEMBL2159415 0.87 CCR1 (0.81) CCR1KCNH2

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-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-12-09 US disclosed
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2019-11-07 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-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 CCR1 4/4885KCNH2 4804/4885
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 CCR1 6/4885KCNH2 4772/4885

“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.