SCHEMBL17333641

SCHEMBL17333641

CCCc1n[nH]c2c(=O)[nH]c(Cc3cc(C(=O)CN4CCN(CC)CC4)ccc3OCC)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.47
PDE6C P51160 3/20 0.47
MAPT P10636 1/20 0.38
HDAC1 Q13547 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC3 O15379 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
PDE2A O00408 1/20 0.34
PDE6D O43924 1/20 0.34

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
SCHEMBL5085823 0.93 PDE5A (0.56) PDE5APDE6CMAPTHDAC1HDAC6
SCHEMBL5990273 0.88 PDE5A (0.50) PDE5APDE6CMAPTALDH1A1MEN1
SCHEMBL7019558 0.84 PARP1 (0.41) PDE5APDE6CMAPTHDAC1HDAC6
SCHEMBL16972452 0.77 PDE1A (0.48) PDE5APDE6CMAPTALDH1A1ALOX15
SCHEMBL3671939 0.76 PDE5A (0.55) PDE5APDE6CPDE3BPDE3APDE2A
SCHEMBL7085453 0.76 PDE5A (0.36) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL14685955 0.75 KDM4E (0.41) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL5988676 0.74 PDE5A (0.48) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL14686017 0.74 KDM4E (0.39) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL6058528 0.73 PDE5A (0.67) PDE5APDE6CMAPTALDH1A1PDE1A

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-20150359798-A1 PIPERAZINYL DERIVATIVE REDUCES HIGH-FAT DIET-INDUCED ACCUMULATION OF FAT IN THE LIVERS, THERAPEUTICALLY JANSFAT BIOTECHNOLOGY CO., LTD. (TW) 2015-12-17 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-20150359798-A1 PIPERAZINYL DERIVATIVE REDUCES HIGH-FAT DIET-INDUCED ACCUMULATION OF FAT IN THE LIVERS, THERAPEUTICALLY FABP1, LIPC, PLIN5 PDE5A 570/4885PDE6C 3718/4885MAPT 1473/4885

“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.