SCHEMBL22761237

SCHEMBL22761237

C=Cc1cccc2c1N(C)Cc1cc(OCCCC)c(OCCCC)cc1-2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
HTR1A P08908 3/20 0.33
HTR7 P34969 3/20 0.33
CNR2 P34972 1/20 0.32
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 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
SCHEMBL22271919 0.90 HTT (0.32) ACHECNR2
SCHEMBL22761232 0.90 ACHE (0.38) ACHEHTR2AHTR2CPDE4D
SCHEMBL28057669 0.87 TP53 (0.36) ACHETP53
SCHEMBL17601999 0.86 ADRA2A (0.41) ACHEHTR2AHTR2CHTR2BHTR1A
SCHEMBL17601979 0.83 CHRNA7 (0.43) ACHEHTR2AHTR2CHTR2BHTR1A
SCHEMBL16002508 0.83 HTR1A (0.36) ACHEHTR2AHTR1APDE4B
SCHEMBL22271831 0.83 ACHE (0.52) ACHE
SCHEMBL22760876 0.82 ACHE (0.40) ACHE
SCHEMBL17602025 0.81 ACHE (0.34) ACHEHTR2AHTR2CHTR2BHTR1A
SCHEMBL17602004 0.81 MAOA (0.35) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385396-A1 Compond for treatment or prevention of of obesity or diseases related to obesity, and application thereof CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2020-12-10 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-20200385396-A1 Compond for treatment or prevention of of obesity or diseases related to obesity, and application thereof PCSK9, FABP4, GPR119 ACHE 2644/4885HTR2A 2321/4885HTR2C 2109/4885

“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.