SCHEMBL10073226

SCHEMBL10073226

CCNC(=O)Nc1cc(C)c(C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ POLB P06746 2/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL596725 0.85 MEN1 (0.44) MAPTALDH1A1MTNR1BMEN1KMT2A
SCHEMBL10073287 0.84 MAPT (0.40) MAPTALDH1A1MTNR1BMEN1KMT2A
SCHEMBL26463986 0.83 ALDH1A1 (0.62) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL29824559 0.79 MEN1 (0.55) MAPTALDH1A1MTNR1BMEN1KMT2A
SCHEMBL23560422 0.79 MTNR1B (0.57) MAPTALDH1A1MTNR1BMEN1KMT2A
SCHEMBL5851707 0.76 NPC1 (0.68) MAPTALDH1A1MTNR1BMEN1KMT2A
SCHEMBL11419114 0.75 MAPT (0.48) MAPTALDH1A1MTNR1BMEN1KMT2A
SCHEMBL10172965 0.74 NPC1 (0.68) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2161415 0.74 MAPT (0.67) MAPTALDH1A1MEN1KMT2A
SCHEMBL13693070 0.74 CASR (0.52) MAPTALDH1A1MTNR1BMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 — — US disclosed
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 — — US disclosed
EP-1632479-B1 Pharmaceutical compositions comprising CCR5 antagonizing piperazine derivatives SCHERING CORP (US) 2011-01-12 — — EP disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 — — US disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 — — US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 — — US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 — — US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 — — US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 — — 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-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 MAPT 3008/4885ALDH1A1 2736/4885MTNR1B 718/4885

“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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