SCHEMBL4887585

SCHEMBL4887585

CS/C(=N\c1ccc(Cl)cc1)N1CCC2(CC1)OC(=O)c1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.53
CYP2D6 P10635 1/20 0.53
NPY5R Q15761 11/20 0.51
AVPR1A P37288 3/20 0.48
SIGMAR1 Q99720 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL8257203 1.00 HSD11B1 (0.53) HSD11B1CYP2D6NPY5RAVPR1ASIGMAR1
SCHEMBL4887590 1.00 HSD11B1 (0.53) HSD11B1CYP2D6NPY5RAVPR1ASIGMAR1
SCHEMBL4882812 0.80 HRH3 (0.48) HSD11B1CYP2D6NPY5RAVPR1AHRH3
SCHEMBL4882807 0.80 HRH3 (0.48) HSD11B1CYP2D6NPY5RAVPR1AHRH3
SCHEMBL8260249 0.80 HRH3 (0.48) HSD11B1CYP2D6NPY5RAVPR1AHRH3
SCHEMBL11839484 0.75 HRH3 (0.58) HSD11B1CYP2D6NPY5RSIGMAR1HRH3
SCHEMBL4885388 0.75 NPY5R (0.58) HSD11B1CYP2D6NPY5RAVPR1ASIGMAR1
SCHEMBL8259094 0.75 HSD11B1 (0.50) HSD11B1CYP2D6SIGMAR1
SCHEMBL4681026 0.75 HSD11B1 (0.50) HSD11B1CYP2D6SIGMAR1
SCHEMBL4681025 0.75 HSD11B1 (0.50) HSD11B1CYP2D6SIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 HSD11B1 382/4885CYP2D6 325/4885NPY5R 193/4885

“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.