SCHEMBL18199756

SCHEMBL18199756

O=C(C(c1ccccc1)C1CCCC1)N1CCN(C/C=C/c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 10/20 1.00
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ PKM P14618 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ LMNA P02545 5/20 0.57
▸ GAA P10253 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ TSHR P16473 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ MCHR1 Q99705 1/20 0.55
▸ CYP3A4 P08684 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ GMNN O75496 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53

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
SCHEMBL28129212 0.83 CHRM3 (0.70) CHRM3SMN1; SMN2HTTLMNAGAA
SCHEMBL28129211 0.83 CHRM3 (0.70) CHRM3SMN1; SMN2HTTLMNAGAA
SCHEMBL22899837 0.79 CHRM3 (0.65) CHRM3SMN1; SMN2PKMHTTLMNA
SCHEMBL18199753 0.77 CHRM3 (1.00) CHRM3KDM4ETSHRMEN1KMT2A
SCHEMBL5487379 0.77 LMNA (0.72) CHRM3SMN1; SMN2HTTLMNAGAA
SCHEMBL5487375 0.77 LMNA (0.72) CHRM3SMN1; SMN2HTTLMNAGAA
SCHEMBL18199757 0.76 CHRM3 (1.00) CHRM3LMNATSHRMEN1KMT2A
SCHEMBL20202492 0.76 CHRM3 (1.00) CHRM3LMNAMEN1KMT2ACHRM1
SCHEMBL18199754 0.75 CHRM3 (1.00) CHRM3TSHRCYP3A4CYP1A2CYP2D6
SCHEMBL20202491 0.75 CHRM3 (1.00) CHRM3LMNATSHRMEN1KMT2A

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 3141/4885SMN1; SMN2 2567/4885PKM 3217/4885

“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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