SCHEMBL18878630

SCHEMBL18878630

CC(=O)CN1CCCC1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HRH3 Q9Y5N1 12/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
RAD52 P43351 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL25202526 0.83 ALDH1A1 (0.48) CHRM2ALDH1A1HRH3L3MBTL1MEN1
SCHEMBL500406 0.83 ALDH1A1 (0.48) CHRM2ALDH1A1HRH3L3MBTL1MEN1
Hydrochloric Acid SCHEMBL1376064 0.82 ALDH1A1 (0.47) CHRM2ALDH1A1HRH3L3MBTL1MEN1
SCHEMBL24749679 0.82 CHRM2 (0.44) CHRM2ALDH1A1HRH3L3MBTL1MEN1
SCHEMBL2639392 0.82 CHRM2 (0.44) CHRM2ALDH1A1HRH3L3MBTL1MEN1
SCHEMBL6962733 0.79 ALDH1A1 (0.37) CHRM2ALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL18878755 0.79 ALDH1A1 (0.51) CHRM2ALDH1A1HRH3L3MBTL1MEN1
SCHEMBL12465662 0.78 CHRM2 (0.51) CHRM2ALDH1A1HRH3L3MBTL1MEN1
SCHEMBL4177818 0.77 ALDH1A1 (0.50) CHRM2ALDH1A1HRH3L3MBTL1MEN1
SCHEMBL2185067 0.76 L3MBTL1 (0.50) ALDH1A1HRH3L3MBTL1POLB

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-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 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-20170146549-A1 ISOBARIC MASS LABELS SRMS, PTMS, QPCTL CHRM2 1764/4885ALDH1A1 725/4885HRH3 4551/4885

“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.