SCHEMBL963810

SCHEMBL963810

CCC(=C(C)C(=O)O)c1cnn(C)c1-n1ccc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
PARP1 P09874 1/20 0.36
SLC22A12 Q96S37 4/20 0.35
CDC7 O00311 1/20 0.34
CDK2 P24941 1/20 0.34
ELANE P08246 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
STING1 Q86WV6 1/20 0.33
ENPP1 P22413 1/20 0.33
AHR P35869 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE4B Q07343 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
SCHEMBL963806 1.00 MTNR1A (0.41) MTNR1APARP1SLC22A12CDC7CDK2
SCHEMBL964990 0.81 MTNR1A (0.42) MTNR1APARP1SLC22A12CDC7CDK2
SCHEMBL964991 0.81 MTNR1A (0.42) MTNR1APARP1SLC22A12CDC7CDK2
SCHEMBL962976 0.76 MTNR1A (0.40) MTNR1APARP1SLC22A12CDC7CDK2
SCHEMBL962978 0.76 MTNR1A (0.40) MTNR1APARP1SLC22A12CDC7CDK2
SCHEMBL963808 0.75 PPARG (0.39) MTNR1APARP1SLC22A12CDC7CDK2
SCHEMBL963804 0.71 MTNR1A (0.38) MTNR1APARP1SLC22A12CDC7CDK2
SCHEMBL962499 0.71 CDC7 (0.41) MTNR1APARP1SLC22A12CDC7CDK2
SCHEMBL962301 0.69 PARP1 (0.38) MTNR1APARP1SLC22A12CDC7CDK2
SCHEMBL962302 0.69 PARP1 (0.38) MTNR1APARP1SLC22A12CDC7CDK2

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MTNR1A 69/4885PARP1 1594/4885SLC22A12 2369/4885

“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.