SCHEMBL24914919

SCHEMBL24914919

CCC(C)(O)c1cccc(CO)n1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
HCRTR1 O43613 17/20 0.34
HCRTR2 O43614 17/20 0.34
KCNH2 Q12809 1/20 0.32

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
SCHEMBL7803702 0.85 CCR1 (0.38) CCR1HCRTR1HCRTR2KCNH2
SCHEMBL20436477 0.84 CCR1 (0.36) CCR1HCRTR1HCRTR2KCNH2
SCHEMBL20436470 0.84 CCR1 (0.36) CCR1HCRTR1HCRTR2KCNH2
SCHEMBL30382126 0.83 HCRTR1 (0.42) CCR1HCRTR1HCRTR2
SCHEMBL536688 0.83 HCRTR1 (0.42) CCR1HCRTR1HCRTR2
SCHEMBL2440105 0.81 CCR1 (0.40) CCR1HCRTR1HCRTR2KCNH2
SCHEMBL24915287 0.78 CCR1 (0.38) CCR1HCRTR1HCRTR2
SCHEMBL21790630 0.77 ADORA2A (0.42) CCR1HCRTR1HCRTR2
SCHEMBL25543526 0.77 ADORA2A (0.42) CCR1HCRTR1HCRTR2
SCHEMBL23364941 0.76 HTR7 (0.33)

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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 EP 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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 CCR1 1981/4885HCRTR1 1495/4885HCRTR2 1086/4885

“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.