SCHEMBL25587793

SCHEMBL25587793

CC(C)N(Cc1ccc(Br)c(Cl)c1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 6/20 0.36
SLC6A3 Q01959 6/20 0.36
CYP3A4 P08684 5/20 0.36
CYP2D6 P10635 5/20 0.36
KCNH2 Q12809 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
PNMT P11086 1/20 0.34
PYCR1 P32322 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL25587791 0.81 CYP1A2 (0.38) CYP2D6CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL22651803 0.81 CNR2 (0.41) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL25587768 0.80 MEN1 (0.40) MAOBSLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL22651802 0.77 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL23357811 0.75 HRH3 (0.45) MAOBSLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL23961651 0.75 CYP1A2 (0.43) MAOBSLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL25587803 0.75 CYP1A2 (0.40) MAOBCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL11955043 0.72 ESR1 (0.42) MAOBSLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL17069265 0.72 PNMT (0.48) MAOBMEN1ALDH1A1KMT2APNMT
SCHEMBL2525103 0.71 ACLY (0.39) MAOBSLC6A2SLC6A4SLC6A3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 US disclosed
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 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 (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-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES ADORA1, OXGR1, ADORA2A MAOB 523/4885SLC6A2 459/4885SLC6A4 414/4885

“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.