SCHEMBL29840697

SCHEMBL29840697

O=C(O)N(N1CCOCC1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL3077427 0.76 HSD17B10 (0.39) HSD17B10SMN1; SMN2CA12CA1CA9
SCHEMBL6396268 0.72 POLB (0.43) HSD17B10SMN1; SMN2GLAKMT2AHTT
SCHEMBL27921097 0.70 KDM4E (0.38) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL7207146 0.70 L3MBTL1 (0.33) HSD17B10SMN1; SMN2CA12CA1CA9
SCHEMBL1535150 0.70 CA12 (0.37) CA12CA1CA9KDM4EMAPT
SCHEMBL4057481 0.69 KDM4E (0.37) HSD17B10SMN1; SMN2CA12CA1CA9
SCHEMBL7015140 0.69 SMN1; SMN2 (0.39) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL8939927 0.69 HTT (0.38) HSD17B10SMN1; SMN2CA12CA1CA9
SCHEMBL1535149 0.68 CA12 (0.39) HSD17B10CA12CA1CA9KDM4E
SCHEMBL8779695 0.68 ALDH1A1 (0.50) HSD17B10SMN1; SMN2TP53KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250064743-A1 TREPROSTINIL DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UNITED THERAPEUTICS CORPORATION (US) 2025-02-27 US claimed
US-12168071-B2 Treprostinil derivatives and their use in pharmaceutical compositions UNITED THERAPEUTICS CORPORATION (US) 2024-12-17 US claimed
US-20220280430-A1 TREPROSTINIL DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UNITED THERAPEUTICS CORPORATION (US) 2022-09-08 US claimed
US-20250064743-A1 TREPROSTINIL DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UNITED THERAPEUTICS CORPORATION (US) 2025-02-27 US disclosed
US-12168071-B2 Treprostinil derivatives and their use in pharmaceutical compositions UNITED THERAPEUTICS CORPORATION (US) 2024-12-17 US disclosed
CN-117479946-A Dry powder compositions containing treprostinil and its prodrug and further comprising (E) -3,6-bis [4- (N-carbonyl-2-propenyl) amide butyl ] -2,5-diketopiperazine (FDKP) 联合治疗公司 2024-01-30 CN disclosed
US-20220280430-A1 TREPROSTINIL DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UNITED THERAPEUTICS CORPORATION (US) 2022-09-08 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-20220280430-A1 TREPROSTINIL DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS TREH, TKT, TPP2 HSD17B10 1692/4885SMN1; SMN2 2845/4885CA12 3577/4885
US-20250064743-A1 TREPROSTINIL DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS TREH, THPO, TPP2 HSD17B10 2425/4885SMN1; SMN2 4023/4885CA12 3930/4885
US-12168071-B2 Treprostinil derivatives and their use in pharmaceutical compositions TREH, TKT, TPP2 HSD17B10 1692/4885SMN1; SMN2 2845/4885CA12 3577/4885

“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.