SCHEMBL3332580

SCHEMBL3332580

COc1ccc2c(ccn2C(C)N(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.52
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 1/20 0.46
HTR6 P50406 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
CYP1A2 P05177 2/20 0.42
CDC42 P60953 1/20 0.42
RAC1 P63000 1/20 0.42
TSHR P16473 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
HTR2A P28223 1/20 0.41
ROCK1 Q13464 1/20 0.41
TUBB1 Q9H4B7 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL597518 0.83 HTR2C (0.58) HTR2CSLC6A2SLC6A4HTR6POLB
SCHEMBL25523286 0.82 HTR2C (0.48) HTR2CSLC6A2SLC6A4HTR6POLB
SCHEMBL25523295 0.82 HTR2C (0.48) HTR2CSLC6A2SLC6A4HTR6POLB
SCHEMBL25523270 0.82 HTR2C (0.48) HTR2CSLC6A2SLC6A4HTR6POLB
SCHEMBL25523289 0.82 HTR2C (0.48) HTR2CSLC6A2SLC6A4HTR6POLB
SCHEMBL25523282 0.82 HTR2C (0.48) HTR2CSLC6A2SLC6A4HTR6POLB
SCHEMBL18258591 0.79 AKR1C3 (0.54) HTR2CSLC6A2SLC6A4HTR6POLB
SCHEMBL18258592 0.79 AKR1C3 (0.54) HTR2CSLC6A2SLC6A4HTR6POLB
SCHEMBL6609182 0.78 PRKCI (0.51) HTR2CSLC6A2SLC6A4CYP1A2HTR2A
SCHEMBL26500009 0.77 HTR2C (0.48) HTR2CSLC6A2SLC6A4HTR6POLB

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-2121601-B1 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2016-06-15 EP disclosed
US-8343964-B2 Indolic derivatives, their preparation processes and their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2013-01-01 US disclosed
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2010-06-10 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-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS GPBAR1, TPH1, GPER1 HTR2C 261/4885SLC6A2 2403/4885SLC6A4 2473/4885

“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.