SCHEMBL2883579

SCHEMBL2883579

CC(C(=O)O)c1ccc(CN2CCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.56
PTGS1 P23219 11/20 0.56
PTGS2 P35354 10/20 0.56
LMNA P02545 2/20 0.56
CYP2C9 P11712 2/20 0.56
AKR1C3 P42330 2/20 0.56
CXCR1 P25024 2/20 0.56
CXCR2 P25025 2/20 0.56
ALB P02768 1/20 0.56
ESR1 P03372 1/20 0.56
ALOX5 P09917 1/20 0.56
RARB P10826 1/20 0.56
ADRB3 P13945 1/20 0.56
NFKB1 P19838 1/20 0.56
HTR2A P28223 1/20 0.56
NR1I3 Q14994 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
CXCL8 P10145 1/20 0.56
TSHR P16473 1/20 0.56
AKR1C2 P52895 1/20 0.56

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
SCHEMBL27848477 0.86 HRH3 (0.55) HRH3PTGS1PTGS2LMNACYP2C9
SCHEMBL5218361 0.84 PTGS1 (0.56) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL5326844 0.82 ATM (0.71) LMNAHTR2ANR1I3ALDH1A1KDM4E
SCHEMBL28645590 0.80 HRH3 (0.61) HRH3ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL4547890 0.79 HRH3 (0.65) HRH3ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL6961823 0.79 CXCR2 (0.63) HRH3CYP2C9CXCR1CXCR2ALDH1A1
SCHEMBL6961828 0.79 CXCR2 (0.63) HRH3CYP2C9CXCR1CXCR2ALDH1A1
SCHEMBL11139655 0.78 HRH3 (0.69) HRH3ALDH1A1KDM4EHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7404903 0.76 HRH3 (0.67) HRH3ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL14847024 0.76 HRH3 (0.67) HRH3ALDH1A1KDM4ESMN1; SMN2

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-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R HRH3 208/4885PTGS1 1485/4885PTGS2 1964/4885

“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.