SCHEMBL14595348

SCHEMBL14595348

CCN(CC)CCC(=O)N1CCN(CC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MITF O75030 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ GNAI3 P08754 1/20 0.33
▸ GNAI1 P63096 1/20 0.33
▸ BDKRB1 P46663 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL23471042 0.82 HSD11B1 (0.45) HSD11B1ALDH1A1MEN1KMT2ATDP1
SCHEMBL14627468 0.81 ALDH1A1 (0.41) HSD11B1ALDH1A1MEN1KMT2ATDP1
SCHEMBL12092350 0.78 HSD11B1 (0.45) HSD11B1ALDH1A1MEN1KMT2ATDP1
SCHEMBL10254140 0.78 BLM (0.43) HSD11B1ALDH1A1MEN1KMT2ATACR1
SCHEMBL23471247 0.78 L3MBTL1 (0.61) HSD11B1ALDH1A1MEN1KMT2ATDP1
SCHEMBL14595357 0.77 HSD11B1 (0.41) HSD11B1ALDH1A1MEN1KMT2ATDP1
SCHEMBL12092346 0.77 HSD11B1 (0.41) HSD11B1ALDH1A1MEN1KMT2ATDP1
SCHEMBL19634489 0.76 GNAI3 (0.59) HSD11B1MEN1KMT2ATDP1L3MBTL1
SCHEMBL21015511 0.76 ATM (0.42) HSD11B1ALDH1A1MEN1KMT2ATDP1
SCHEMBL17943670 0.74 ALDH1A1 (0.39) HSD11B1ALDH1A1MEN1KMT2ATDP1

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 2234/4885ALDH1A1 3182/4885MEN1 1861/4885

“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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