SCHEMBL2198340

SCHEMBL2198340

O=C(Nc1cnccn1)N1CCN(C(=O)c2ccc(F)c(OCCC3CCCCC3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
FAAH O00519 3/20 0.41
HTR1A P08908 1/20 0.39
F10 P00742 7/20 0.39
NAMPT P43490 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SCN9A Q15858 1/20 0.37
S1PR2 O95136 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL12509392 0.91 FAAH (0.42) ALDH1A1FAAHHTR1AF10NAMPT
SCHEMBL2192802 0.86 ALDH1A1 (0.43) ALDH1A1FAAHHTR1ANAMPTCYP3A4
SCHEMBL12509175 0.86 ALDH1A1 (0.46) ALDH1A1FAAHNAMPTCYP3A4CYP2D6
SCHEMBL2197160 0.85 FAAH (0.44) ALDH1A1FAAHNAMPTCYP3A4CYP2D6
SCHEMBL2195603 0.84 FAAH (0.47) ALDH1A1FAAHF10CYP3A4CYP2D6
SCHEMBL2196898 0.84 FAAH (0.40) ALDH1A1FAAHNAMPTCYP3A4CYP2D6
SCHEMBL12509280 0.82 ALDH1A1 (0.46) ALDH1A1FAAHNAMPTCYP3A4CYP2D6
SCHEMBL12509264 0.81 CHRNB2 (0.46) ALDH1A1FAAHNAMPTCYP2D6
SCHEMBL12509270 0.80 LMNA (0.46) ALDH1A1F10
SCHEMBL12509094 0.80 FAAH (0.42) ALDH1A1FAAHNAMPTCYP3A4CYP2D6

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 ALDH1A1 259/4885FAAH 1/4885HTR1A 3797/4885

“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.