SCHEMBL4148010

SCHEMBL4148010

c1ccc(CN2CCC3CCCCC3C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.59
ACHE P22303 6/20 0.58
BCHE P06276 5/20 0.58
BACE1 P56817 5/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 1/20 0.57
SIGMAR1 Q99720 2/20 0.54
CCR3 P51677 1/20 0.53
HTR7 P34969 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL6182247 1.00 HRH3 (0.59) HRH3ACHEBCHEBACE1CYP1A2
SCHEMBL5116305 1.00 HRH3 (0.59) HRH3ACHEBCHEBACE1CYP1A2
SCHEMBL7319631 0.89 ACHE (0.62) ACHEBCHEBACE1ALDH1A1SIGMAR1
SCHEMBL6503566 0.89 FUCA1 (0.56) HRH3ACHEBCHEBACE1CYP1A2
SCHEMBL6503563 0.89 FUCA1 (0.56) HRH3ACHEBCHEBACE1CYP1A2
SCHEMBL18477518 0.87 FUCA1 (0.55) HRH3ACHEBCHEBACE1CYP1A2
SCHEMBL15082004 0.85 FUCA1 (0.56) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL500532 0.85 FUCA1 (0.56) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL14157508 0.85 FUCA1 (0.56) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL14157505 0.85 FUCA1 (0.56) ACHEBCHEBACE1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101132695-B Insecticidal substituted piperidines MERIAL LTD 2012-10-03 CN disclosed
US-20090082389-A1 PESTICIDAL SUBSTITUTED PIPERIDINES MERIAL LIMITED 2009-03-26 US disclosed
CN-101132695-A Insecticidal substituted piperidines MERIAL LTD (US) 2008-02-27 CN disclosed
EP-1848274-A1 PESTICIDAL SUBSTITUTED PIPERIDINES Merial Ltd. (US) 2007-10-31 EP disclosed
WO-2006087162-A1 PESTICIDAL SUBSTITUTED PIPERIDINES MERIAL LTD. (US) 2006-08-24 WO disclosed
EP-1692939-A1 Pesticidal substituted piperidines Bayer CropScience S.A. (FR) 2006-08-23 EP 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-20090082389-A1 PESTICIDAL SUBSTITUTED PIPERIDINES PIR, ACHE, PREP HRH3 931/4885ACHE 2/4885BCHE 286/4885

“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.