SCHEMBL3327393

SCHEMBL3327393

COc1ccc(C(=O)NC2CCC(C(=O)N3CCN(C(C)C)CC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.58
▸ KMT2A Q03164 6/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ DPP4 P27487 1/20 0.51
▸ DPP8 Q6V1X1 1/20 0.51
▸ DPP9 Q86TI2 1/20 0.51
▸ PKM P14618 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PAK1 Q13153 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL3327390 1.00 HRH3 (0.58) HRH3KMT2AMEN1DPP4DPP8
SCHEMBL3325902 0.85 ALDH1A1 (0.53) HRH3KMT2APKML3MBTL1ALDH1A1
SCHEMBL24011062 0.82 SMN1; SMN2 (0.59) HRH3PKML3MBTL1ALDH1A1
SCHEMBL2403503 0.81 PKM (0.58) KMT2AMEN1PKML3MBTL1ALDH1A1
SCHEMBL2403509 0.81 PKM (0.58) KMT2AMEN1PKML3MBTL1ALDH1A1
SCHEMBL2536771 0.79 NPC1 (0.64) KMT2AMEN1
SCHEMBL24011270 0.78 PKM (0.45) HRH3PKML3MBTL1ALDH1A1
SCHEMBL2928770 0.77 POLB (0.60) HRH3KMT2AL3MBTL1POLB
SCHEMBL2928768 0.77 POLB (0.60) HRH3KMT2AL3MBTL1POLB
SCHEMBL2929162 0.76 HRH3 (0.54) HRH3KMT2AL3MBTL1POLB

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-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 — — US claimed
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HOFFMANN-LA ROCHE INC. 2007-07-19 — — US claimed
US-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 — — US disclosed
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HOFFMANN-LA ROCHE 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 (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-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES HRH3, HRH4, HRH1 HRH3 1/4885KMT2A 291/4885MEN1 1237/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 HRH3 1/4885KMT2A 291/4885MEN1 1237/4885

“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.

Send feedback