SCHEMBL13990944

SCHEMBL13990944

Clc1cccc(Cc2cn(CC3CCCN3Cc3ccccc3)c3ncccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
ADRA1B P35368 1/20 0.43
SPHK2 Q9NRA0 4/20 0.43
SPHK1 Q9NYA1 4/20 0.43
HTR6 P50406 4/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 3/20 0.38
HDAC3 O15379 1/20 0.38
FAAH O00519 4/20 0.38
MAOB P27338 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL13990945 0.88 ADRA1A (0.54) ADRA1AHRH1ADRA1BHTR6
SCHEMBL4812629 0.81 HTR6 (0.61) HTR6
SCHEMBL13990946 0.78 HTR6 (0.42) HRH1ADRA1BHTR6HDAC3MAOB
SCHEMBL4818300 0.76 HTR6 (0.54) HTR6
SCHEMBL4814931 0.74 HTR6 (0.60) HTR6
SCHEMBL4810438 0.73 HTR6 (0.43) SPHK2SPHK1HTR6FAAH
SCHEMBL13990940 0.69 HDAC3 (0.46) HTR6HDAC3
SCHEMBL13990943 0.69 HDAC3 (0.46) HTR6HDAC3
SCHEMBL20700365 0.67 SPHK1 (0.44) SPHK2SPHK1ALDH1A1FAAH
SCHEMBL2840712 0.67 SPHK1 (0.44) SPHK2SPHK1ALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306106-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-12-11 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-20080306106-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR2C ADRA1A 211/4885HRH1 337/4885ADRA1B 190/4885

“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.