SCHEMBL5535690

SCHEMBL5535690

O=[C]N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
AKR1C3 P42330 1/20 0.53
ME2 P23368 1/20 0.47
ME1 P48163 1/20 0.47
ME3 Q16798 1/20 0.47
DHFR P00374 1/20 0.46
NOTUM Q6P988 1/20 0.45
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
MLYCD O95822 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 5/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL28650484 0.84 CA12 (0.65) CA12CA2CA9AKR1C3ME2
SCHEMBL3239961 0.82 HSD11B1 (0.52) CA12CA2CA9ADRA1DMAPT
SCHEMBL6237643 0.82 CA2 (0.51) CA12CA2CA9AKR1C3ME2
SCHEMBL2319879 0.80 ALDH1A1 (0.60) MAPTSMN1; SMN2
SCHEMBL298843 0.79 MAPT (0.57) CA12CA2CA9AKR1C3MAPT
SCHEMBL4700945 0.77 CA2 (0.54) CA12CA2CA9AKR1C3ME2
SCHEMBL8717874 0.77 HTR3E (0.53) AKR1C3MAPTSMN1; SMN2DRD4
SCHEMBL13285321 0.77 CA12 (0.56) CA12CA2CA9AKR1C3ME2
SCHEMBL28842325 0.77 CA12 (0.56) CA12CA2CA9AKR1C3ME2
SCHEMBL5542076 0.76 CA12 (0.69) CA12CA2CA9AKR1C3ME2

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-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 US disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 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-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 CA12 4362/4885CA2 3838/4885CA9 4687/4885

“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.