SCHEMBL12420613

SCHEMBL12420613

c1cc(CN2CCNCC2)cc(OCCC2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
CYP2D6 P10635 1/20 0.48
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
HRH2 P25021 1/20 0.43

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 SCHEMBL2196646 0.99 HRH3 (0.50) HRH3CYP2D6DRD2DRD4SIGMAR1
SCHEMBL3996239 0.82 FAAH (0.55)
SCHEMBL2193581 0.81 FAAH (0.52) HRH3
SCHEMBL12420874 0.80 CXCR4 (0.50) HRH3DRD2DRD4SIGMAR1
SCHEMBL9734996 0.80 SIGMAR1 (0.51) DRD2DRD4SIGMAR1
SCHEMBL12420616 0.79 SIGMAR1 (0.48) HRH3SIGMAR1
SCHEMBL9736013 0.79 SIGMAR1 (0.50) DRD2DRD4SIGMAR1HRH2
SCHEMBL25120369 0.79 FAAH (0.55) CYP2D6
SCHEMBL2194586 0.78 FAAH (0.48)
SCHEMBL15012021 0.78 SIGMAR1 (0.51) DRD2DRD4SIGMAR1

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 HRH3 94/4885CYP2D6 3951/4885DRD2 1917/4885

“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.