SCHEMBL29540939

SCHEMBL29540939

O=C(OCc1ccccc1)[C@H](O)Cc1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.51
▸ HPGD P15428 5/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ TSHR P16473 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ GRM5 P41594 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL18256541 1.00 NPC1 (0.51) NPC1HPGDRAB9ATSHRSMN1; SMN2
SCHEMBL19088469 0.88 NPC1 (0.50) NPC1HPGDRAB9ATSHRSMN1; SMN2
SCHEMBL18248082 0.84 NPC1 (0.53) NPC1HPGDRAB9ATSHRSMN1; SMN2
SCHEMBL18256449 0.83 MEN1 (0.53) TSHRSMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL19088472 0.83 MEN1 (0.53) TSHRSMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL18256539 0.82 HPGD (0.50) NPC1HPGDRAB9ATSHRSMN1; SMN2
SCHEMBL29541462 0.82 HPGD (0.50) NPC1HPGDRAB9ATSHRSMN1; SMN2
SCHEMBL18256517 0.82 MEN1 (0.47) NPC1HPGDRAB9ATSHRSMN1; SMN2
SCHEMBL18256344 0.79 GPBAR1 (0.40) TP53KMT2AMEN1NPSR1CYP3A4
SCHEMBL29541109 0.79 GPBAR1 (0.40) TP53KMT2AMEN1NPSR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12286455-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2025-04-29 — — US disclosed
US-12018048-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-06-25 — — US disclosed
EP-3397638-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2023-08-23 — — EP disclosed
US-11382949-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-07-12 — — US disclosed
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2022-03-31 — — 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 (4 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-12018048-B2 Anthelmintic depsipeptide compounds VIP, DNPEP, DPEP1 NPC1 2239/4885HPGD 2329/4885RAB9A 1467/4885
US-11382949-B2 Anthelmintic depsipeptide compounds ENPP2, ROCK2, RRP12 NPC1 4580/4885HPGD 3124/4885RAB9A 714/4885
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP NPC1 1789/4885HPGD 2700/4885RAB9A 1983/4885
US-12286455-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP NPC1 2188/4885HPGD 2900/4885RAB9A 2061/4885

“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.

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