SCHEMBL2698337

SCHEMBL2698337

CC(Cl)Cc1[c]cccc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.30
TAAR1 Q96RJ0 2/20 0.30
MAOA P21397 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CYP2A6 P11509 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL136235 0.83 GABRA1 (0.35) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL454838 0.83
SCHEMBL3656632 0.80
SCHEMBL2696383 0.80
SCHEMBL28848589 0.79 LMNA (0.35) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL1051818 0.79 PTGS1 (0.31) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL27959917 0.79 TAAR1 (0.48) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL10773725 0.79 LMNA (0.35) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL6886439 0.79 TRPA1 (0.35) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL8791108 0.78

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
EP-2632929-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2013-09-04 EP disclosed
WO-2012056419-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2012-05-03 WO disclosed
US-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use BASF SE (DE) 2012-05-03 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 (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-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use CYCS, CYC1, CBR1 SLC6A2 4521/4885TAAR1 957/4885MAOA 948/4885

“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.