SCHEMBL83106

SCHEMBL83106

Nc1ccccc1C1=CCN(P)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSD17B10 Q99714 2/20 0.35
DRD2 P14416 7/20 0.35
DRD4 P21917 7/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 3/20 0.34
ALOX15 P16050 3/20 0.34
HTR1A P08908 2/20 0.34
POLB P06746 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR6 P50406 1/20 0.34
DRD3 P35462 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL4159466 0.79 KDM4E (0.54) L3MBTL1HSD17B10DRD2DRD4KDM4E
SCHEMBL2078054 0.71 KDM4E (0.43) ALDH1A1KDM4ELMNAHTR1A
SCHEMBL8784661 0.68 ALDH1A1 (0.48) ALDH1A1L3MBTL1HSD17B10ALOX15IDO1
SCHEMBL83700 0.68 PDK4 (0.68) HTR6
SCHEMBL5189044 0.67 PTGS2 (0.47) ALDH1A1L3MBTL1HSD17B10IDO1
SCHEMBL23536396 0.67 ALDH1A1 (0.39) ALDH1A1DRD2DRD4KDM4ELMNA
SCHEMBL4850917 0.66 PTGS2 (0.46) ALDH1A1L3MBTL1HSD17B10IDO1
SCHEMBL4856447 0.66 PTGS2 (0.46) ALDH1A1L3MBTL1HSD17B10IDO1
SCHEMBL4850921 0.66 PTGS2 (0.46) ALDH1A1L3MBTL1HSD17B10IDO1
Hydrochloric Acid SCHEMBL21465353 0.65 ALDH1A1 (0.93) ALDH1A1L3MBTL1HSD17B10KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 US disclosed
US-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 US disclosed
US-20130310399-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-21 US disclosed
US-8546569-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-10-01 US disclosed
US-8546569-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-10-01 US disclosed
US-20120270885-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-10-25 US disclosed
US-20120270885-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-10-25 US disclosed
US-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-20090042938-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2009-02-12 US disclosed
US-20090042938-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2009-02-12 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 (3 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-20120270885-A1 CHEMICAL COMPOUNDS H1-0, CHRM1, MRM1 ALDH1A1 927/4885L3MBTL1 460/4885HSD17B10 4553/4885
US-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 ALDH1A1 831/4885L3MBTL1 417/4885HSD17B10 4611/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 ALDH1A1 409/4885L3MBTL1 194/4885HSD17B10 3851/4885

“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.