SCHEMBL2197433

SCHEMBL2197433

CC1CN(C(=O)c2cccc(OCCC3CCCCC3)c2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
HRH3 Q9Y5N1 2/20 0.44
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
REN P00797 1/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41

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
Hydrochloric Acid SCHEMBL2196480 0.99 HCRTR1 (0.44) HCRTR1HCRTR2HRH3LMNAALDH1A1
SCHEMBL12420768 0.89 MEN1 (0.47) HCRTR1HCRTR2HRH3ALDH1A1MGLL
Hydrochloric Acid SCHEMBL2196700 0.88 MEN1 (0.47) HCRTR1HCRTR2HRH3MGLLMEN1
SCHEMBL25120379 0.82 NPC1 (0.54) HCRTR1HCRTR2HRH3LMNAALDH1A1
SCHEMBL2194541 0.80 F10 (0.48) HCRTR1HCRTR2HRH3LMNAALDH1A1
SCHEMBL30318932 0.80 F10 (0.48) HCRTR1HCRTR2HRH3LMNAALDH1A1
SCHEMBL2195828 0.79 SETD7 (0.47) HCRTR1HCRTR2HRH3LMNAALDH1A1
SCHEMBL12420609 0.79 HCRTR1 (0.49) HCRTR1HCRTR2HRH3LMNAALDH1A1
SCHEMBL30318930 0.79 GPR119 (0.48) HCRTR1HCRTR2LMNAALDH1A1MEN1
SCHEMBL25120232 0.79 GPR119 (0.48) HCRTR1HCRTR2LMNAALDH1A1MEN1

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 4 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
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 EP 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 791/4885HRH3 94/4885

“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.