SCHEMBL3317673

SCHEMBL3317673

C[CH]Cn1c2c(c3ccc(Br)cc31)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
FABP4 P15090 1/20 0.41
HTR6 P50406 3/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
AVPR2 P30518 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL3319817 0.83 CA1 (0.44) CA1CA2FABP4HTR6CHRM2
SCHEMBL22153082 0.76 ALDH1A1 (0.44) CA1CA2FABP4LMNAKDM4E
SCHEMBL9966179 0.76 ALOX5 (0.53) CA1CA2HTR6CHRM2HTR1A
SCHEMBL3318218 0.75 PTGS1 (0.53) CA1CA2HTR6LMNAKDM4E
SCHEMBL12927722 0.75 ALOX5 (0.55) CA1CA2HTR6CHRM2HTR1A
SCHEMBL31447996 0.73 CA1 (0.37) CA1CA2FABP4HTR6CHRM2
SCHEMBL4727325 0.72 MAPT (0.59) CA1CA2HTR6KRASLMNA
SCHEMBL13028006 0.70 HSD17B10 (0.36) CA1CA2FABP4KRASLMNA
SCHEMBL30981976 0.69 MTNR1A (0.44) FABP4DRD2KRASKDM4EMEN1
SCHEMBL4026317 0.69 SCARB1 (0.46) HTR6CHRM2HTR1ACHRM5ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115137-B2 2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole compounds and methods of use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-25 US disclosed
US-20130190348-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190347-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. 2010-01-28 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-20130190347-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 CA1 739/4885CA2 2402/4885FABP4 4531/4885
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 CA1 725/4885CA2 2256/4885FABP4 4597/4885
US-20130190348-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 CA1 725/4885CA2 2256/4885FABP4 4597/4885

“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.