SCHEMBL20625833

SCHEMBL20625833

CCCCCCC(C)(C)C(=O)NCc1nnc(C)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CXCR4 P61073 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACAT1 P24752 1/20 0.39
SOAT1 P35610 1/20 0.39
CNR1 P21554 1/20 0.35
RIPK1 Q13546 1/20 0.33
EPHX1 P07099 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CACNA1H O95180 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
SCHEMBL19413239 0.89 EPHX1 (0.33) CCR2CCR1CCR5CXCR4MAPT
SCHEMBL20417207 0.83 RIPK1 (0.47) CCR2RIPK1DRD2DRD4GAA
SCHEMBL20625881 0.79 KDM4E (0.40) CCR2CCR1CCR5CXCR4MAPT
SCHEMBL20625837 0.76 FPR2 (0.41) CCR2CCR1CCR5CXCR4MAPT
SCHEMBL20625883 0.73 KDM4E (0.39) CCR2CCR1CCR5CXCR4MAPT
SCHEMBL25680588 0.72 FAAH (0.48) CCR2CCR1CCR5CXCR4MAPT
SCHEMBL19413330 0.71 HRH3 (0.44)
SCHEMBL27462713 0.71 EPHX1 (0.52) CCR2CCR1CCR5CXCR4MAPT
SCHEMBL28477588 0.70 RIPK1 (0.68) CNR1RIPK1GAAMEN1KMT2A
SCHEMBL25683476 0.70 CNR1 (0.46) CCR2CCR1CCR5CXCR4MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174019-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2019-01-08 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 (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-10174019-B2 Substituted 6,5-fused bicyclic heteroaryl compounds CYP3A5, PAICS, CYP4B1 CCR2 967/4885CCR1 2076/4885CCR5 183/4885

“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.