SCHEMBL2175583

SCHEMBL2175583

Cc1cc(C#N)ccc1C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.54
HTR6 P50406 1/20 0.51
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
CHRND Q07001 1/20 0.49
CYP11B2 P19099 2/20 0.46
CYP11B1 P15538 1/20 0.46
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
FASN P49327 1/20 0.41
HTR3A P46098 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL16954663 0.90 CYP11B2 (0.50) HTR2CHTR6CHRNA1CHRNGCHRNB1
SCHEMBL10088668 0.86 CYP11B2 (0.49) HTR6CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL14290362 0.86 CYP11B2 (0.49) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL30963 0.83 CYP11B2 (0.46) HTR2CHTR6CHRNA1CHRNGCHRNB1
SCHEMBL2320589 0.82 CYP11B2 (0.45) HTR6CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL1366189 0.82 CYP11B2 (0.48) HTR2CHTR6CHRNA1CHRNGCHRNB1
SCHEMBL21527353 0.80 CHRNA1 (0.49) HTR2CHTR6CHRNA1CHRNGCHRNB1
SCHEMBL19022096 0.80 HTR6 (0.48) HTR2CHTR6CHRNA1CHRNGCHRNB1
SCHEMBL5534626 0.79 HTR2C (0.61) HTR2CHTR6CHRNB2CHRNA4SLC6A2
SCHEMBL11894025 0.78 CYP11B2 (0.44) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102206206-A Azabicyclooctane hydroximic acid derivatives, preparation method thereof, and application thereof in medicament JIANGSU HENGRUI MEDICINE CO 2011-10-05 CN disclosed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US disclosed
US-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 US disclosed
WO-2005117882-A2 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORPORATION (US) 2005-12-15 WO 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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 HTR2C 2401/4885HTR6 1891/4885CHRNA1 4590/4885

“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.