SCHEMBL18199757

SCHEMBL18199757

O=C(C(c1ccccc1)C1CCCC1)N1CCN(CCC2CCCCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 8/20 1.00
▸ TP53 P04637 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ DRD2 P14416 3/20 0.48
▸ DRD3 P35462 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTR1E P28566 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ S1PR3 Q99500 1/20 0.47
▸ CCR1 P32246 1/20 0.45

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
SCHEMBL18199753 0.84 CHRM3 (1.00) CHRM3TP53CYP1A2CYP3A4CYP2D6
SCHEMBL18199754 0.82 CHRM3 (1.00) CHRM3TP53CYP1A2CYP3A4CYP2D6
SCHEMBL20202491 0.82 CHRM3 (1.00) CHRM3TP53CYP1A2CYP3A4CYP2D6
SCHEMBL18199751 0.81 CHRM3 (1.00) CHRM3TP53CYP1A2CYP3A4CYP2D6
SCHEMBL20202492 0.80 CHRM3 (1.00) CHRM3MEN1LMNAMAPTHTR1E
SCHEMBL9970970 0.79 CHRM3 (0.70) CHRM3
SCHEMBL25239794 0.78 CHRM3 (0.64) CHRM3DRD2MEN1KMT2A
SCHEMBL18199755 0.77 CHRM3 (1.00) CHRM3TDP1MEN1LMNAMAPT
SCHEMBL11083565 0.77 CHRM3 (0.71) CHRM3TP53CYP1A2CYP3A4CYP2D6
SCHEMBL18199756 0.76 CHRM3 (1.00) CHRM3CYP1A2CYP3A4CYP2D6TSHR

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
EP-3288926-B1 N-ARALKYLCARBONYL-PIPERAZINE AND -HOMOPIPERAZINE COMPOUNDS AND PERSONAL CARE COMPOSITIONS COMPRISING THE SAME UNILEVER PLC (GB) 2021-01-20 — — EP disclosed
US-20180148425-A1 N-ARALKYLCARBONYL-PIPERAZINE AND -HOMOPIPERAZINE COMPOUNDS AND PERSONAL CARE COMPOSITIONS COMPRISING THE SAME CONOPCO, INC., D/B/A UNILEVER (US) 2018-05-31 — — US disclosed
US-20180148425-A1 N-ARALKYLCARBONYL-PIPERAZINE AND -HOMOPIPERAZINE COMPOUNDS AND PERSONAL CARE COMPOSITIONS COMPRISING THE SAME CONOPCO, INC., D/B/A UNILEVER (US) 2018-05-31 — — US disclosed
WO-2016173817-A1 N-ARALKYLCARBONYL-PIPERAZINE AND -HOMOPIPERAZINE COMPOUNDS AND PERSONAL CARE COMPOSITIONS COMPRISING THE SAME UNILEVER PLC (GB) 2016-11-03 — — WO 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-20180148425-A1 N-ARALKYLCARBONYL-PIPERAZINE AND -HOMOPIPERAZINE COMPOUNDS AND PERSONAL CARE COMPOSITIONS COMPRISING THE SAME MKI67, CUTA, PLP2 CHRM3 3141/4885TP53 1443/4885CYP1A2 2408/4885

“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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