SCHEMBL19206537

SCHEMBL19206537

O=c1[nH]c2c(n(CC3CC3)c1=O)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
PDE4D Q08499 4/20 0.40
PDE1A P54750 2/20 0.40
PDE1B Q01064 2/20 0.40
PDE1C Q14123 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 12/20 0.36
CNR1 P21554 11/20 0.36
PDE5A O76074 2/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 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
SCHEMBL20739951 0.98 ALDH1A1 (0.51) ALDH1A1PDE4DPDE1APDE1BPDE1C
SCHEMBL20739879 0.79 PDE4D (0.44) ALDH1A1PDE4DPDE1APDE1BPDE1C
SCHEMBL20723433 0.79 PDE4D (0.44) ALDH1A1PDE4DPDE1APDE1BPDE1C
SCHEMBL20739922 0.77 PDE1A (0.46) ALDH1A1PDE4DPDE1APDE1BPDE1C
SCHEMBL19206540 0.74 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CYP3A4ALOX15KDM4E
SCHEMBL19206551 0.66 PDE4D (0.41) PDE4DPDE1APDE1BPDE1CCNR2
SCHEMBL4784844 0.66 CNR2 (0.50) CNR2CNR1
SCHEMBL7329776 0.64 GRIA1 (0.51) MEN1KMT2AHPGD
SCHEMBL4926581 0.64 CNR2 (0.54) CNR2CNR1
SCHEMBL2986363 0.63 ALDH1A1 (0.39) ALDH1A1PDE4DSMN1; SMN2MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414249-B1 PDE1 INHIBITOR LILLY CO ELI (US) 2021-06-23 EP disclosed
EP-3414249-B1 PDE1 INHIBITOR LILLY CO ELI (US) 2021-06-23 EP disclosed
EP-3414249-A1 PDE1 INHIBITOR Eli Lilly and Company (US) 2018-12-19 EP disclosed
US-10112951-B2 PDE1 inhibitor ELI LILLY AND COMPANY (US) 2018-10-30 US disclosed
US-20180099973-A1 PDE1 INHIBITOR ELI LILLY AND COMPANY (US) 2018-04-12 US disclosed
US-20180099973-A1 PDE1 INHIBITOR ELI LILLY AND COMPANY (US) 2018-04-12 US disclosed
US-9868741-B2 PDE1 inhibitor ELI LILLY AND COMPANY (US) 2018-01-16 US disclosed
US-9868741-B2 PDE1 inhibitor ELI LILLY AND COMPANY (US) 2018-01-16 US disclosed
WO-2017139186-A1 PDE1 INHIBITOR ELI LILLY AND COMPANY (US) 2017-08-17 WO disclosed
WO-2017139186-A1 PDE1 INHIBITOR ELI LILLY AND COMPANY (US) 2017-08-17 WO disclosed
US-20170233396-A1 PDE1 INHIBITOR LILLY CO ELI (US) 2017-08-17 US disclosed
US-20170233396-A1 PDE1 INHIBITOR LILLY CO ELI (US) 2017-08-17 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 (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-10112951-B2 PDE1 inhibitor PDE3B, PDE5A, PDE3A ALDH1A1 101/4885PDE4D 11/4885PDE1A 19/4885
US-20180099973-A1 PDE1 INHIBITOR PDE3B, PDE5A, PDE3A ALDH1A1 101/4885PDE4D 11/4885PDE1A 19/4885
US-20170233396-A1 PDE1 INHIBITOR PDE3B, PDE5A, PDE3A ALDH1A1 101/4885PDE4D 11/4885PDE1A 19/4885

“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.