SCHEMBL12244120

SCHEMBL12244120

Clc1ccc2c(CC3CCCN3)c[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.68
GPR84 Q9NQS5 1/20 0.56
HTR2A P28223 2/20 0.55
HTR1A P08908 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1F P30939 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
SCHEMBL12244098 0.90 HTR6 (0.67) HTR6GPR84HTR1AHTR1BHTR2C
SCHEMBL1445683 0.81 HTR6 (1.00) HTR6GPR84HTR2AHTR1AHTR1B
SCHEMBL30675329 0.81 HTR6 (1.00) HTR6GPR84HTR2AHTR1AHTR1B
SCHEMBL31403 0.81 HTR6 (1.00) HTR6GPR84HTR2AHTR1AHTR1B
SCHEMBL30898 0.81 HTR6 (1.00) HTR6GPR84HTR2AHTR1AHTR1B
SCHEMBL5297611 0.78 HTR6 (0.46) HTR6HTR2A
SCHEMBL8790419 0.77 HTR6 (0.91) HTR6HTR2AHTR1AHTR1BHTR2C
SCHEMBL29178366 0.77 GPR84 (0.49) HTR6GPR84HTR2AHTR2C
SCHEMBL8506642 0.77 HTR6 (0.67) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL7375886 0.77 HTR6 (0.67) HTR6HTR1AHTR1BHTR2CHTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271971-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-01 US disclosed
US-9271971-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-01 US disclosed
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-12-10 US disclosed
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-12-10 US disclosed
US-9085580-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-21 US disclosed
US-9085580-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-21 US disclosed
US-9079904-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-14 US disclosed
US-9079904-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-14 US disclosed
US-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 US disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 US disclosed
WO-2011038163-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 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-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HTR6 10/4885GPR84 508/4885HTR2A 12/4885
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HTR6 10/4885GPR84 508/4885HTR2A 12/4885
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HTR6 10/4885GPR84 508/4885HTR2A 12/4885

“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.