SCHEMBL19206533

SCHEMBL19206533

O=C(NCC1CC1)C(=O)NC1CCCCC1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2D6 P10635 1/20 0.38
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 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
SCHEMBL20723435 0.98 EPHX1 (0.45) EPHX1TDP1POLBCA12CA1
SCHEMBL23373279 0.78 TDP1 (0.37) EPHX1TDP1ALOX15
SCHEMBL20739948 0.78 TDP1 (0.37) EPHX1TDP1ALOX15
SCHEMBL19206550 0.77 KMT2A (0.43) POLBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL20739923 0.75 EPHX1 (0.36) EPHX1TDP1CA12CA1CA2
SCHEMBL14260876 0.71 MGAM (0.41) EPHX1TDP1CA1CA2
SCHEMBL6232907 0.71 MGAM (0.41) EPHX1TDP1CA1CA2
SCHEMBL3340637 0.71 MGAM (0.41) EPHX1TDP1CA1CA2
SCHEMBL14394993 0.71 MGAM (0.41) EPHX1TDP1CA1CA2
SCHEMBL14367251 0.71 MGAM (0.41) EPHX1TDP1CA1CA2

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 15 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-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
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
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 EPHX1 681/4885TDP1 696/4885POLB 4189/4885
US-20180099973-A1 PDE1 INHIBITOR PDE3B, PDE5A, PDE3A EPHX1 681/4885TDP1 696/4885POLB 4189/4885
US-20170233396-A1 PDE1 INHIBITOR PDE3B, PDE5A, PDE3A EPHX1 681/4885TDP1 696/4885POLB 4189/4885

“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.