Sugi Predict

Sugi Predict / Compounds / SCHEMBL3315263

SCHEMBL3315263

SCHEMBL3315263

CN1CCc2c(c3cc(Cl)ccc3n2CCC(=O)OCc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 3/20 0.57
▸ HDAC1 Q13547 4/20 0.56
▸ HDAC6 Q9UBN7 4/20 0.56
▸ HRH1 P35367 5/20 0.53
▸ HTR6 P50406 5/20 0.53
▸ ADRA2A P08913 3/20 0.53
▸ ADRA1A P35348 3/20 0.53
▸ HTR2A P28223 2/20 0.53
▸ HTR2C P28335 2/20 0.53
▸ HTR7 P34969 2/20 0.53
▸ DRD2 P14416 1/20 0.53
▸ CHRM2 P08172 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ DRD1 P21728 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51

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
SCHEMBL3318911 0.91 HDAC1 (0.57) BAZ2BHDAC1HDAC6HRH1HTR6
SCHEMBL3318937 0.87 BAZ2B (0.59) BAZ2BHDAC1HDAC6HRH1HTR6
SCHEMBL3233239 0.85 BAZ2B (0.51) BAZ2BHDAC1HDAC6HRH1HTR6
SCHEMBL3316657 0.84 BAZ2B (0.78) BAZ2BHDAC1HDAC6HRH1HTR6
SCHEMBL13534105 0.82 BAZ2B (0.58) BAZ2BHDAC1HDAC6HRH1HTR6
SCHEMBL3319833 0.82 BAZ2B (0.58) BAZ2BHDAC1HDAC6HRH1HTR6
SCHEMBL13534396 0.82 BAZ2B (0.68) BAZ2BHDAC1HDAC6HRH1HTR6
SCHEMBL3714287 0.82 HTR6 (0.77) HRH1HTR6ADRA2AADRA1AHTR2A
SCHEMBL3318899 0.81 BAZ2B (0.53) BAZ2BHDAC1HDAC6HRH1HTR6
SCHEMBL3322125 0.81 BAZ2B (0.64) BAZ2BHDAC1HDAC6HRH1HTR6

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 17 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-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-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
EP-2244708-B1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES INC (US) 2015-01-14 — — EP disclosed
EP-2244708-B1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES INC (US) 2015-01-14 — — EP 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-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-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-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-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
EP-2244708-A1 NEW 2,3,4,5-TEtRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF Medivation Technologies, Inc. (US) 2010-11-03 — — EP 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
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
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
WO-2009094668-A1 NEW 2,3,4,5-TERAHYDRO-1H-PYRIDO[ 4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2009-07-30 — — WO disclosed
WO-2009094668-A1 NEW 2,3,4,5-TERAHYDRO-1H-PYRIDO[ 4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2009-07-30 — — 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 (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 BAZ2B 1845/4885HDAC1 4020/4885HDAC6 3290/4885
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 BAZ2B 1712/4885HDAC1 3809/4885HDAC6 2802/4885
US-20130190348-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 BAZ2B 1712/4885HDAC1 3809/4885HDAC6 2802/4885

“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.