SCHEMBL12459935

SCHEMBL12459935

Nc1ccc(C(=O)NCCCN2CCOCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 3/20 0.79
▸ TSHR P16473 1/20 0.76
▸ ALDH1A1 P00352 2/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ KDM4E B2RXH2 1/20 0.72
▸ HTR1A P08908 1/20 0.64
▸ MAOA P21397 1/20 0.64
▸ MAOB P27338 1/20 0.64
▸ KCNH2 Q12809 1/20 0.64
▸ CYP2D6 P10635 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ HPGD P15428 1/20 0.61
▸ NAMPT P43490 1/20 0.60
▸ CA12 O43570 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ LMNA P02545 2/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ HTT P42858 1/20 0.60

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
SCHEMBL3543817 0.92 CD274 (0.92) CD274TSHRALDH1A1KDM4EHTR1A
SCHEMBL763452 0.86 HTT (0.78) CD274TSHRALDH1A1SMN1; SMN2KDM4E
Eprobemide SCHEMBL570896 0.86 ALDH1A1 (0.85) CD274TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL9199198 0.86 LMNA (0.67) CD274TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL1382764 0.86 SMN1; SMN2 (0.95) CD274TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL12089972 0.86 LMNA (0.83) CD274TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL2249600 0.85 TSHR (0.74) CD274TSHRALDH1A1SMN1; SMN2KDM4E
Eprobemide SCHEMBL10495496 0.85 ALDH1A1 (0.82) CD274TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL22823029 0.85 SMN1; SMN2 (0.70) CD274TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL3324927 0.85 TSHR (0.70) CD274TSHRALDH1A1SMN1; SMN2KDM4E

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
CN-109689652-B Fused heterocyclic derivative, preparation method and medical application thereof 北京诺诚健华医药科技有限公司 2022-04-26 — — CN disclosed
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-06-29 — — US disclosed
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-06-29 — — US disclosed
US-20200390909-A1 DRUG FRAGMENT IMAGING AGENT CONJUGATES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-12-17 — — US disclosed
WO-2019173483-A1 DRUG FRAGMENT IMAGING AGENT CONJUGATES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-09-12 — — WO disclosed
EP-3505517-A1 FUSED HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2019-07-03 — — EP disclosed
EP-3505517-A1 FUSED HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2019-07-03 — — EP disclosed
US-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-06-20 — — US disclosed
US-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-06-20 — — US disclosed
CN-109689652-A Fused heterocycle derivative, preparation method and its application medically 北京诺诚健华医药科技有限公司 2019-04-26 — — CN disclosed
EP-2343303-A1 PI3-kinase inhibitors Boehringer Ingelheim International GmbH (DE) 2011-07-13 — — 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 (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-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, INMT CD274 1225/4885TSHR 4220/4885ALDH1A1 890/4885
US-20200390909-A1 DRUG FRAGMENT IMAGING AGENT CONJUGATES FUCA1, SI, FOLH1 CD274 2270/4885TSHR 3084/4885ALDH1A1 539/4885
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof IDO1, IDO2, INMT CD274 1225/4885TSHR 4220/4885ALDH1A1 890/4885

“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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