SCHEMBL22141963

SCHEMBL22141963

CCCCCCCC(C)(CCCCCC)C1CCCNC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CXCR4 P61073 1/20 0.35
GNAO1 P09471 9/20 0.34
GNAI3 P08754 8/20 0.34
GNAI1 P63096 8/20 0.34
HTR2A P28223 1/20 0.33
CNR1 P21554 1/20 0.33
PRCP P42785 1/20 0.33
CNR2 P34972 3/20 0.31

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
SCHEMBL22142074 1.00 CCR2 (0.35) CCR2CCR1CCR5CXCR4GNAO1
SCHEMBL26317203 0.98 CCR2 (0.34) CCR2CCR1CCR5CXCR4GNAO1
SCHEMBL24736818 0.98 CCR2 (0.34) CCR2CCR1CCR5CXCR4GNAO1
SCHEMBL22023694 0.97 HTR2A (0.33) CCR2CCR1CCR5CXCR4GNAO1
SCHEMBL18459246 0.95 HTR2A (0.32) CCR2CCR1CCR5CXCR4GNAO1
SCHEMBL21191726 0.93 HTR2A (0.34) HTR2A
SCHEMBL22024142 0.90 HTR2A (0.33) HTR2A
SCHEMBL26653352 0.89 GNAO1 (0.40) CCR2CCR1CCR5CXCR4GNAO1
SCHEMBL23896488 0.89 GNAO1 (0.40) CCR2CCR1CCR5CXCR4GNAO1
SCHEMBL22023796 0.88 GNAO1 (0.39) CCR2CCR1CCR5CXCR4GNAO1

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-11168093-B2 Thienopyridine inhibitors of RIPK2 CELGENE CORPORATION (US) 2021-11-09 US disclosed
US-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 CELGENE CORPORATION 2020-06-25 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-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 CCR2 1178/4885CCR1 3737/4885CCR5 1495/4885
US-11168093-B2 Thienopyridine inhibitors of RIPK2 RIPK2, RIPK1, RIPK4 CCR2 1178/4885CCR1 3737/4885CCR5 1495/4885

“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.