SCHEMBL5518005

SCHEMBL5518005

Nc1n[nH]cc1C(=O)NCC1CCC(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HIF1A Q16665 1/20 0.40
▸ NAPEPLD Q6IQ20 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ ACACB O00763 2/20 0.39

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
SCHEMBL5518000 1.00 KDM4E (0.48) KDM4EALDH1A1HIF1ANAPEPLDMEN1
SCHEMBL5514051 0.82 KDM4E (0.42) KDM4EALDH1A1
SCHEMBL14451320 0.82 KDM4E (0.42) KDM4EALDH1A1
SCHEMBL22540303 0.74 TDP1 (0.61) KDM4EALDH1A1MEN1KMT2ACYP3A4
SCHEMBL8283874 0.71 HDAC3 (0.55) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL2154639 0.70 ALDH1A1 (0.56) KDM4EALDH1A1HIF1A
SCHEMBL7262288 0.69 KDM4E (0.66) KDM4EALDH1A1HIF1A
SCHEMBL7464376 0.69 MGLL (0.49) KDM4EALDH1A1MEN1KMT2A
SCHEMBL4501635 0.67 CTSD (0.38) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5522737 0.67 NPC1L1 (0.54) KDM4EALDH1A1HDAC3HDAC4HDAC1

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
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 — — US claimed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 — — 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A KDM4E 2535/4885ALDH1A1 1187/4885HIF1A 1645/4885

“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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