SCHEMBL2197160

SCHEMBL2197160

O=C(Nc1cnccn1)N1CCN(C(=O)c2cc(OCCC3CCCCC3)ccc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
PARP1 P09874 6/20 0.40
MOGAT2 Q3SYC2 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 1/20 0.37
S1PR2 O95136 1/20 0.37
HCRTR2 O43614 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL12509094 0.85 FAAH (0.42) FAAHCYP3A4CYP2D6NAMPTALDH1A1
SCHEMBL2198340 0.85 ALDH1A1 (0.41) FAAHCYP3A4CYP2D6NAMPTALDH1A1
SCHEMBL2195603 0.84 FAAH (0.47) FAAHCYP3A4CYP2D6ALDH1A1HCRTR2
SCHEMBL2194588 0.84 FAAH (0.43) FAAHCYP3A4NAMPTALDH1A1CHRNB2
SCHEMBL2196898 0.84 FAAH (0.40) FAAHCYP3A4CYP2D6NAMPTALDH1A1
SCHEMBL12509280 0.82 ALDH1A1 (0.46) FAAHCYP3A4CYP2D6NAMPTALDH1A1
SCHEMBL12509283 0.82 DRD2 (0.44) FAAHNAMPTALDH1A1KDM4C
SCHEMBL12509264 0.81 CHRNB2 (0.46) FAAHCYP2D6NAMPTALDH1A1CHRNB2
SCHEMBL2192802 0.81 ALDH1A1 (0.43) FAAHCYP3A4CYP2D6NAMPTALDH1A1
SCHEMBL2193702 0.80 FAAH (0.42) FAAHCYP3A4CYP2D6NAMPTCHRNB2

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 5 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 claimed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 EP claimed
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 FAAH 1/4885PARP1 3006/4885MOGAT2 397/4885

“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.