SCHEMBL14375239

SCHEMBL14375239

CC1CCN(Cc2ccc(C(=O)O)o2)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.67
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HRH3 Q9Y5N1 4/20 0.51
ACHE P22303 2/20 0.51
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
GSK3B P49841 3/20 0.46
CNR1 P21554 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL546627 0.83 HTT (0.77) HTTALDH1A1NPSR1HRH3KDM4E
SCHEMBL3823611 0.82 HTT (0.70) HTTALDH1A1NPSR1HRH3KDM4E
SCHEMBL3585672 0.81 HTT (0.74) HTTALDH1A1NPSR1HRH3KDM4E
SCHEMBL1243301 0.80 HTT (1.00) HTTALDH1A1NPSR1HRH3KDM4E
SCHEMBL25062524 0.79 HTT (0.58) HTTALDH1A1NPSR1KDM4EGAA
Hydrochloric Acid SCHEMBL3500894 0.79 HTT (0.97) HTTALDH1A1NPSR1HRH3KDM4E
SCHEMBL21044234 0.79 HTT (0.70) HTTALDH1A1NPSR1HRH3KDM4E
SCHEMBL14375213 0.78 ACHE (0.49) ALDH1A1NPSR1HRH3ACHEPOLB
SCHEMBL3824247 0.78 HTT (0.68) HTTALDH1A1NPSR1HRH3KDM4E
SCHEMBL25062762 0.77 HTT (0.52) HTTALDH1A1HRH3KDM4ETDP1

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-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 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-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine CXCR4, CXCR1, CXCR3 HTT 4578/4885ALDH1A1 683/4885NPSR1 1056/4885

“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.