SCHEMBL16768010

SCHEMBL16768010

CC(=O)CCC1CN(C(C)C)CCO1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.45
CCR2 P41597 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDK1 Q15118 1/20 0.34
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
P2RX3 P56373 2/20 0.30
P2RX2 Q9UBL9 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL18027856 0.88 HRH3 (0.48) HRH3CCR2KCNH2PDK1CHRM2
SCHEMBL18027853 0.88 HRH3 (0.48) HRH3CCR2KCNH2PDK1CHRM2
SCHEMBL18721176 0.88 HRH3 (0.48) HRH3CCR2KCNH2PDK1CHRM2
SCHEMBL16767988 0.85 HRH3 (0.43) HRH3CCR2KCNH2PDK1CHRM2
SCHEMBL16369427 0.84 HRH3 (0.47) HRH3CCR2KCNH2PDK1CHRM2
SCHEMBL16767983 0.84 HRH3 (0.45) HRH3CCR2KCNH2PDK1P2RX3
SCHEMBL26723898 0.81 HRH3 (0.49) HRH3CCR2KCNH2PDK1P2RX3
SCHEMBL18827024 0.81 HRH3 (0.48) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL16812143 0.80 HRH3 (0.49) HRH3CCR2KCNH2PDK1CHRM2
SCHEMBL13887585 0.79 ACKR3 (0.39) HRH3PDK1NPC1RAB9ACYP19A1

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-9340538-B2 Dihydropyrimidine compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-05-17 US disclosed
US-20150152096-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-04 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-20150152096-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS DPYD, SLC10A1, HPRT1 HRH3 1555/4885CCR2 3894/4885KCNH2 4333/4885

“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.