SCHEMBL17259092

SCHEMBL17259092

c1ccc(COC2CC2c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
TACR1 P25103 1/20 0.46
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
KDM1A O60341 7/20 0.44
MAOA P21397 7/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MAOB P27338 6/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2B6 P20813 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL17269305 1.00 HTR2C (0.46) HTR2CTACR1PSEN1PSEN2APH1B
SCHEMBL17259094 1.00 HTR2C (0.46) HTR2CTACR1PSEN1PSEN2APH1B
SCHEMBL29148630 0.80 PSEN1 (0.37) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL2973504 0.79 REN (0.51) HTR2CBCHEACHESLC6A2SLC6A3
Ammonia Solution, Strong SCHEMBL819652 0.78 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Ammonia Solution, Strong SCHEMBL819306 0.78 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25319621 0.76 PDE4D (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17269299 0.76 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21011807 0.76 PDE4D (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22151309 0.76 PDE4D (0.51) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-2931708-B1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2017-05-10 EP disclosed
US-9527798-B2 Cyclopropylboronic compounds, preparation process thereof and use thereof DIVERCHIM (FR) 2016-12-27 US disclosed
US-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2015-11-19 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-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF HMBS, MMAB, FDPS HTR2C 4775/4885TACR1 2637/4885PSEN1 2499/4885

“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.