SCHEMBL18482713

SCHEMBL18482713

CC(C)COC(=O)N1CCN(CCCl)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.47
HRH1 P35367 4/20 0.47
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KIT P10721 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
PIK3CD O00329 1/20 0.39
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL1692682 0.85 HRH2 (0.48) HRH2HRH1ALDH1A1HTTPOLB
SCHEMBL14922331 0.85 HRH2 (0.54) HRH2HRH1ALDH1A1HTTPOLB
SCHEMBL3632495 0.84 HRH2 (0.47) HRH2HRH1ALDH1A1HTTPOLB
SCHEMBL3958428 0.84 HRH2 (0.47) HRH2HRH1ALDH1A1HTTKIT
SCHEMBL9242962 0.83 ALDH1A1 (0.62) HRH2HRH1ALDH1A1HTTPOLB
SCHEMBL11337882 0.83 ALDH1A1 (0.62) HRH2HRH1ALDH1A1HTTPOLB
SCHEMBL24664442 0.83 HRH2 (0.49) HRH2HRH1ALDH1A1HTTKIT
Hydrochloric Acid SCHEMBL10760926 0.81 ALDH1A1 (0.61) HRH2HRH1ALDH1A1HTTPOLB
SCHEMBL10089203 0.81 HRH2 (0.47) HRH2HRH1ALDH1A1HTTPOLB
SCHEMBL18482715 0.81 HRH2 (0.46) HRH2HRH1ALDH1A1HTTPOLB

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-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 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-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 HRH2 1292/4885HRH1 2053/4885ALDH1A1 2892/4885

“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.