SCHEMBL14595387

SCHEMBL14595387

CCN1CCN(C(=O)C2CCCCC2C(=O)O)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.63
▸ CTSB P07858 3/20 0.43
▸ CTSS P25774 3/20 0.43
▸ CTSK P43235 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 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
SCHEMBL14595386 0.83 HSD11B1 (0.58) HSD11B1ALDH1A1KDM4E
SCHEMBL31207070 0.81 CTSB (0.57) CTSBCTSSCTSKALDH1A1KDM4E
SCHEMBL5605778 0.81 CTSB (0.57) CTSBCTSSCTSKALDH1A1KDM4E
SCHEMBL20381970 0.79 HSD11B1 (0.96) HSD11B1ALDH1A1TSHR
SCHEMBL18485325 0.78 HPGD (0.54) HSD11B1CTSBCTSSCTSKALDH1A1
SCHEMBL10282316 0.77 HSD11B1 (1.00) HSD11B1ALDH1A1TSHR
SCHEMBL12632673 0.75 HSD11B1 (0.89) HSD11B1ALDH1A1KDM4ETSHR
SCHEMBL7903517 0.74 HSD11B1 (0.82) HSD11B1ALDH1A1KDM4ETSHR
SCHEMBL699775 0.74 HPGD (0.54) HSD11B1CTSBCTSSCTSKALDH1A1
SCHEMBL16424491 0.74 HPGD (0.52) HSD11B1CTSBCTSSCTSKALDH1A1

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-20070015766-A1 Quinoline Derivatives as NK-3 and NK-2 Antagonists GlaxoSmithKline S.P.A. & Laboratoire 2007-01-18 — — 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-20070015766-A1 Quinoline Derivatives as NK-3 and NK-2 Antagonists KCNK3, KCNQ3, ACKR3 HSD11B1 2234/4885CTSB 866/4885CTSS 631/4885

“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.

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