SCHEMBL5779311

SCHEMBL5779311

CC1CCN(c2c(-c3c(F)cccc3Cl)c(Cl)nc3nnnn23)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
MAPT P10636 3/20 0.34
TSHR P16473 4/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
STAT6 P42226 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCOLN2 Q8IZK6 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
SCHEMBL344327 0.85 TSHR (0.46) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL4814547 0.85 TRPV1 (0.35) TRPV1MAPTTSHRKMT2AMEN1
SCHEMBL14500980 0.83 CDK2 (0.35) TRPV1MAPTTSHRALDH1A1HPGD
SCHEMBL5250958 0.81 TRPV1 (0.35) TRPV1MAPTTSHRALDH1A1HPGD
SCHEMBL4820371 0.79 TSHR (0.48) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL5748665 0.78 SMN1; SMN2 (0.38) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL15341363 0.77 LMNA (0.43) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL4818506 0.76 TSHR (0.46) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL8911791 0.75 TSHR (0.45) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL4819421 0.75 TSHR (0.45) MAPTTSHRKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060199801-A1 Heterobicyclic compounds used as fungicides BASF AKTIENGESELLSCHAFT (DE) 2006-09-07 US disclosed
EP-1620436-A1 HETEROBICYCLIC COMPOUNDS USED AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2006-02-01 EP disclosed
WO-2004092175-A1 HETEROBICYCLIC COMPOUNDS USED AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-10-28 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-20060199801-A1 Heterobicyclic compounds used as fungicides CBR3, CBR1, CYP2A6 TRPV1 3404/4885MAPT 4805/4885TSHR 159/4885

“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.