SCHEMBL12420609

SCHEMBL12420609

CC1CNCCN1C(=O)c1cccc(OCCC2CCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.49
HCRTR2 O43614 2/20 0.49
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 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
SCHEMBL12420768 0.83 MEN1 (0.47) HCRTR1HCRTR2ALDH1A1HRH3MEN1
Hydrochloric Acid SCHEMBL2196700 0.83 MEN1 (0.47) HCRTR1HCRTR2HRH3MEN1KMT2A
SCHEMBL2197433 0.79 HCRTR1 (0.45) HCRTR1HCRTR2ALDH1A1LMNAHRH3
SCHEMBL2191501 0.79 SETD7 (0.47) HCRTR1HCRTR2ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL2196480 0.78 HCRTR1 (0.44) HCRTR1HCRTR2ALDH1A1LMNAHRH3
SCHEMBL25120379 0.77 NPC1 (0.54) HCRTR1HCRTR2ALDH1A1LMNAHRH3
SCHEMBL25120241 0.77 MEN1 (0.46) HCRTR1HCRTR2MAPK1MEN1KMT2A
SCHEMBL25120242 0.76 HCRTR1 (0.46) HCRTR1HCRTR2ALDH1A1KDM4EMAPK1
SCHEMBL2194541 0.75 F10 (0.48) HCRTR1HCRTR2ALDH1A1LMNAHRH3
SCHEMBL30318932 0.75 F10 (0.48) HCRTR1HCRTR2ALDH1A1LMNAHRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R HCRTR1 746/4885HCRTR2 791/4885ALDH1A1 259/4885

“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.