SCHEMBL17656739

SCHEMBL17656739

Bc1ccc(N2CCOCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ HPGD P15428 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ CNR2 P34972 7/20 0.53
▸ POLB P06746 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47

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
SCHEMBL14167603 0.93 CNR2 (0.53) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL10281036 0.82 MAPT (0.47) ALDH1A1KDM4ESMN1; SMN2CYP1A2LMNA
SCHEMBL19341535 0.82 MAPT (0.51) ALDH1A1SMN1; SMN2CYP1A2LMNAMAPT
SCHEMBL3911609 0.78 CNR2 (0.64) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL16360902 0.78 HTR3A (0.51) ALDH1A1KDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL19593 0.78 AKR1C3 (0.70) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL353041 0.78 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL20074157 0.78 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL48764 0.78 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL12812546 0.78 PLD1 (0.53) ALDH1A1HPGDHSD17B10KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018048-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-06-25 — — US 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
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-11-12 — — US disclosed
US-10344056-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-07-09 — — US disclosed
CN-109810806-A A kind of flame retardant type electronic cleaning agent and preparation method thereof 普信氟硅新材料(衢州)有限公司 2019-05-28 — — CN disclosed
WO-2017209155-A1 SULFONAMIDE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-12-07 — — WO disclosed
US-20170233438-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL INC. (US) 2017-08-17 — — US disclosed
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 — — EP disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 — — EP disclosed
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 — — EP 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 (6 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-10344056-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP ALDH1A1 2890/4885HPGD 2700/4885HSD17B10 3962/4885
US-12018048-B2 Anthelmintic depsipeptide compounds VIP, DNPEP, DPEP1 ALDH1A1 2924/4885HPGD 2329/4885HSD17B10 4025/4885
US-11382949-B2 Anthelmintic depsipeptide compounds ENPP2, ROCK2, RRP12 ALDH1A1 3183/4885HPGD 3124/4885HSD17B10 4571/4885
US-20170233438-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP ALDH1A1 2890/4885HPGD 2700/4885HSD17B10 3962/4885
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP ALDH1A1 2890/4885HPGD 2700/4885HSD17B10 3962/4885
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP ALDH1A1 3037/4885HPGD 2900/4885HSD17B10 3948/4885

“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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