SCHEMBL24770754

SCHEMBL24770754

COC(=O)C1CCN(Cc2ccc(Br)cc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 2/20 0.61
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
OPRM1 P35372 6/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 2/20 0.47
CCR5 P51681 2/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
MTNR1B P49286 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL24771347 0.81 ALDH1A1 (0.55) ALDH1A1TDP1KDM4ESMN1; SMN2MEN1
SCHEMBL24771293 0.80 KDM4E (0.49) ALDH1A1TDP1KDM4ESMN1; SMN2HTT
SCHEMBL4591716 0.79 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2HTTMEN1
SCHEMBL5428662 0.79 OPRM1 (0.53) ALDH1A1TDP1KDM4ESMN1; SMN2OPRM1
SCHEMBL24771575 0.79 KMT2A (0.53) ALDH1A1TDP1KDM4ESMN1; SMN2HTT
SCHEMBL24770944 0.78 KDM4E (0.65) ALDH1A1TDP1KDM4ESMN1; SMN2HTT
SCHEMBL29943598 0.78 ALDH1A1 (0.59) ALDH1A1TDP1KDM4ESMN1; SMN2HTT
SCHEMBL23301276 0.78 ALDH1A1 (0.59) ALDH1A1TDP1KDM4ESMN1; SMN2HTT
SCHEMBL3755882 0.77 FAAH (0.55) ALDH1A1TDP1OPRM1
SCHEMBL28868539 0.76 ALDH1A1 (0.45) ALDH1A1TDP1KDM4ESMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117500785-A Azetidinyl-containing carboxylic acid compounds for the treatment of neurodegenerative diseases 细胞基因公司 2024-02-02 CN disclosed
US-20230028747-A1 Carboxylic Acid Containing Azetidinyl Compounds for the Treatment of Neurodegenerative Diseases CELGENE CORPORATION (US) 2023-01-26 US disclosed
WO-2022266162-A1 AZETIDINYL COMPOUNDS COMPRISING A CARBOXYLIC ACID GROUP FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2022-12-22 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 (1 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-20230028747-A1 Carboxylic Acid Containing Azetidinyl Compounds for the Treatment of Neurodegenerative Diseases S1PR5, LPAR5, S1PR2 ALDH1A1 1161/4885TDP1 1735/4885KDM4E 383/4885

“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.