SCHEMBL17066440

SCHEMBL17066440

Cc1ncnc2c1CCCO2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.39
DRD1 P21728 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
DGAT1 O75907 1/20 0.30

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
SCHEMBL23599065 0.88 ALDH1A1 (0.39) DRD1ALDH1A1CYP1A2DGAT1
SCHEMBL21652657 0.73 ACHE (0.42) ACHEALDH1A1CYP1A2
SCHEMBL18949698 0.73 ACHE (0.42) ACHEALDH1A1CYP1A2
SCHEMBL15444686 0.71 ACHE (0.44) ACHEALDH1A1CYP1A2
SCHEMBL16079386 0.69 DGAT1 (0.32) DGAT1
SCHEMBL16079387 0.69 ATM (0.35) DRD1
SCHEMBL15339517 0.69 ACHE (0.33) ACHE
SCHEMBL30373248 0.68 IGF1R (0.44)
SCHEMBL23771343 0.68 ACHE (0.38) ACHEALDH1A1CYP1A2
SCHEMBL9790132 0.68 DRD1 (0.41) ACHEDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
WO-2021129737-A1 COMPOUND HAVING KHK INHIBITORY EFFECT 南京明德新药研发有限公司 2021-07-01 WO disclosed
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed
US-9512148-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2016-12-06 US disclosed
US-20150322092-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2015-11-12 US disclosed
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 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 (2 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-20150322092-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ACHE 4101/4885DRD1 1094/4885ALDH1A1 2724/4885
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT KHK, KHDRBS1, KHSRP ACHE 4724/4885DRD1 4765/4885ALDH1A1 2922/4885

“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.