SCHEMBL168503

SCHEMBL168503

CN1CCc2c(c3cc(Cl)ccc3n2CC(C)(F)c2ccncc2)C1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.58
HRH1 P35367 14/20 0.58
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
BAZ2B Q9UIF8 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL13293801 0.93 HRH1 (0.49) HTR6HRH1HDAC1HDAC6BAZ2B
SCHEMBL12819819 0.92 HTR6 (0.48) HTR6HRH1HDAC1HDAC6BAZ2B
SCHEMBL12480415 0.89 HTR6 (0.57) HTR6HRH1HDAC1HDAC6
SCHEMBL169904 0.89 HTR6 (0.66) HTR6HRH1
SCHEMBL168313 0.89 HTR6 (0.58) HTR6HRH1HDAC1HDAC6
SCHEMBL166839 0.88 HTR6 (0.53) HTR6HRH1HDAC1HDAC6BAZ2B
SCHEMBL168870 0.85 HTR6 (0.63) HTR6HRH1HDAC1HDAC6
SCHEMBL169674 0.85 HTR6 (0.54) HTR6HRH1HDAC1HDAC6
SCHEMBL166223 0.84 HTR6 (0.52) HTR6HRH1HDAC1HDAC6BAZ2B
SCHEMBL169431 0.83 HTR6 (0.51) HTR6HRH1HDAC1HDAC6BAZ2B

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 EP claimed
US-8927571-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-01-06 US claimed
US-8741919-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-03 US claimed
US-20130190331-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US claimed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 US claimed
EP-2424366-A1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-03-07 EP claimed
WO-2011019417-A1 PYRIDO [4, 3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-02-17 WO claimed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 EP disclosed
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 EP disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
WO-2012154261-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-11-15 WO disclosed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 US disclosed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 US disclosed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 US disclosed
WO-2011019417-A1 PYRIDO [4, 3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-02-17 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-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HTR6 10/4885HRH1 41/4885HDAC1 4018/4885
US-20130190331-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HTR6 10/4885HRH1 41/4885HDAC1 4018/4885
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HTR6 47/4885HRH1 93/4885HDAC1 1375/4885

“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.