SCHEMBL683076

SCHEMBL683076

COc1ccc(N2CCN(CC(=O)N3CCOCC3)[C@@H](Cc3ccccc3)C2)c2ccc(C)nc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ PIK3CA P42336 1/20 0.36

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
SCHEMBL2138674 0.89 IRAK4 (0.40) ALDH1A1HTTFLT3IRAK4HSD17B10
SCHEMBL2138668 0.89 IRAK4 (0.40) ALDH1A1HTTFLT3IRAK4HSD17B10
SCHEMBL874749 0.89 HTR1A (0.38) —
SCHEMBL682043 0.89 HTR1A (0.38) —
SCHEMBL2135884 0.87 HTR1A (0.38) ALDH1A1KMT2AHSD17B10KDM4EMEN1
SCHEMBL682654 0.87 HTR1A (0.38) ALDH1A1KMT2AHSD17B10KDM4EMEN1
SCHEMBL683405 0.85 HTR1A (0.38) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL683077 0.84 HCRTR1 (0.38) —
SCHEMBL874551 0.82 PDE4B (0.39) ALDH1A1KDM4EHPGDTSHR
SCHEMBL682040 0.80 TP53 (0.39) ALDH1A1HSD17B10KDM4EHPGDTSHR

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
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 — — US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 — — US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 — — US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 — — 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 (2 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ALDH1A1 1228/4885HTT 3854/4885FLT3 2861/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ALDH1A1 1228/4885HTT 3854/4885FLT3 2861/4885

“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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