SCHEMBL19176792

SCHEMBL19176792

CC(C)(C)CCC(=O)Nc1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.63
▸ POLB P06746 1/20 0.63
▸ HDAC3 O15379 2/20 0.61
▸ HDAC4 P56524 2/20 0.61
▸ HDAC1 Q13547 2/20 0.61
▸ HDAC7 Q8WUI4 2/20 0.61
▸ HDAC2 Q92769 2/20 0.61
▸ HDAC10 Q969S8 2/20 0.61
▸ HDAC11 Q96DB2 2/20 0.61
▸ HDAC8 Q9BY41 2/20 0.61
▸ HDAC6 Q9UBN7 2/20 0.61
▸ HDAC9 Q9UKV0 2/20 0.61
▸ HDAC5 Q9UQL6 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ NOTUM Q6P988 1/20 0.59
▸ EPHX2 P34913 1/20 0.58
▸ PKM P14618 1/20 0.56
▸ MAPK1 P28482 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL19169876 0.84 HDAC3 (0.60) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL8278813 0.83 LMNA (0.78) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL15480449 0.81 HDAC3 (0.88) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL28068633 0.81 HDAC3 (0.68) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL3913781 0.81 HDAC3 (0.68) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL13233335 0.81 BCHE (0.62) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL19125752 0.81 BCAT2 (0.41) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL9157833 0.80 MAPT (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9361891 0.80 HDAC3 (0.63) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL5142691 0.80 ALDH1A1 (0.73) LMNAPOLBHDAC3HDAC4HDAC1

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
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 — — EP disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 — — 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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 LMNA 3683/4885POLB 4050/4885HDAC3 1139/4885

“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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