SCHEMBL19862555

SCHEMBL19862555

Cc1ccc(CNC(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HIF1A Q16665 1/20 0.36
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
CXCR4 P61073 1/20 0.35
HTR1A P08908 3/20 0.34
ADORA2A P29274 1/20 0.34
ADRA2C P18825 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL25522860 0.80 CXCR4 (0.38) CCR1CCR5CCR8HDAC6KEAP1
SCHEMBL19862557 0.79 L3MBTL1 (0.38) ALDH1A1RAB9A
SCHEMBL15240118 0.79 GBA1 (0.42) CCR5ALDH1A1KDM4ERAB9AMAPT
SCHEMBL19862558 0.79 KCNH2 (0.39) ADORA2A
SCHEMBL19862565 0.78 HRH3 (0.47) ALDH1A1KDM4ERAB9AMAPTCXCR4
SCHEMBL14540066 0.78 CCR1 (0.44) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL25522352 0.78 ALDH1A1 (0.38) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL6687544 0.77 CXCR4 (0.37) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL19865668 0.77 ADORA2A (0.39) KDM4EHSD17B10RAB9AMAPTADORA2A
SCHEMBL14477280 0.76 CCR1 (0.43) CCR1CCR5CCR8HDAC6NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
EP-4173674-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 Perha Pharmaceuticals (FR) 2023-05-03 EP disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 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 (3 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-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM CCR1 3250/4885CCR5 1581/4885CCR8 1430/4885
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A CCR1 2536/4885CCR5 1608/4885CCR8 2513/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM CCR1 3250/4885CCR5 1581/4885CCR8 1430/4885

“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.