SCHEMBL6867644

SCHEMBL6867644

Fc1ccc(C2OCCO2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
RAB9A P51151 1/20 0.36
KDM1A O60341 2/20 0.36
MAOB P27338 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 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
SCHEMBL6882198 0.92 CYP11B1 (0.41) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL11410727 0.87 HTR2A (0.42) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL8971859 0.84 CYP11B2 (0.48) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL24495510 0.82 SLC6A2 (0.44) MEN1KMT2ACYP11B1CYP11B2IDO1
SCHEMBL11034392 0.82 MEN1 (0.40) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL3691459 0.82 MEN1 (0.40) MEN1KMT2ACYP11B1CYP11B2RAB9A
SCHEMBL24216109 0.82 KDM1A (0.53) MEN1KMT2ACYP11B1CYP11B2RAB9A
SCHEMBL8493393 0.82 MEN1 (0.40) MEN1KMT2ACYP11B1CYP11B2RAB9A
SCHEMBL21140944 0.82 HTR2A (0.46) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL3711765 0.82 ABCC9 (0.44) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3196189-B1 METHOD FOR PRODUCING 2-AMINO-SUBSTITUTED BENZALDEHYDE COMPOUND NIPPON SODA CO (JP) 2020-09-23 EP disclosed
CN-106573874-B The method for manufacturing 2- amino substituted benzoyl aldehyde compounds 日本曹达株式会社 2018-06-12 CN disclosed
US-20170226046-A1 METHOD FOR PRODUCING 2-AMINO-SUBSTITUTED BENZALDEHYDE COMPOUND NIPPON SODA CO., LTD. (JP) 2017-08-10 US disclosed
US-20170226046-A1 METHOD FOR PRODUCING 2-AMINO-SUBSTITUTED BENZALDEHYDE COMPOUND NIPPON SODA CO., LTD. (JP) 2017-08-10 US disclosed
US-20170226046-A1 METHOD FOR PRODUCING 2-AMINO-SUBSTITUTED BENZALDEHYDE COMPOUND NIPPON SODA CO., LTD. (JP) 2017-08-10 US disclosed
EP-3196189-A1 METHOD FOR PRODUCING 2-AMINO-SUBSTITUTED BENZALDEHYDE COMPOUND Nippon Soda Co., Ltd. (JP) 2017-07-26 EP disclosed
CN-106573874-A Method for producing 2-amino-substituted benzaldehyde compound 日本曹达株式会社 2017-04-19 CN disclosed
US-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-08-09 US disclosed
US-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-08-09 US disclosed
WO-2011057382-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-05-19 WO 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-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS REN, AGTR1, AGTR2 MEN1 3768/4885KMT2A 4013/4885HTR2A 3842/4885
US-20170226046-A1 METHOD FOR PRODUCING 2-AMINO-SUBSTITUTED BENZALDEHYDE COMPOUND AZI2, DAO, ALKBH2 MEN1 2892/4885KMT2A 297/4885HTR2A 188/4885

“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.