SCHEMBL12420773

SCHEMBL12420773

O=C(c1ccnc(OCCC2CCCCC2)c1)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.43
KDM4C Q9H3R0 2/20 0.42
ALDH1A1 P00352 1/20 0.41
NLRP3 Q96P20 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PARP1 P09874 1/20 0.39
HPGD P15428 2/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN9A Q15858 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
Hydrochloric Acid SCHEMBL2195999 0.99 PROKR1 (0.42) PROKR1KDM4CALDH1A1NLRP3SIGMAR1
SCHEMBL12420774 0.84 HRH3 (0.53) ALDH1A1NLRP3CYP2D6HRH3SCN9A
SCHEMBL2196624 0.83 MEN1 (0.47) PROKR1ALDH1A1HPGDSCN9A
SCHEMBL12420768 0.82 MEN1 (0.47) ALDH1A1SIGMAR1HRH3PARP1
SCHEMBL12735909 0.81 HPGD (0.54) ALDH1A1SIGMAR1CYP2D6HRH3HPGD
SCHEMBL12509165 0.81 ALDH1A1 (0.41) PROKR1KDM4CALDH1A1CYP2D6HPGD
Hydrochloric Acid SCHEMBL2196700 0.81 MEN1 (0.47) SIGMAR1HRH3PARP1
SCHEMBL12420842 0.81 HRH3 (0.43) HRH3SCN7AKCNH2SCN9A
SCHEMBL2195324 0.81 KDM4C (0.54) KDM4CALDH1A1
SCHEMBL25120372 0.81 NAMPT (0.48) KDM4CALDH1A1

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 3 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
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 PROKR1 950/4885KDM4C 448/4885ALDH1A1 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.