SCHEMBL575040

SCHEMBL575040

Cc1ccc(CCNc2ccccc2C)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 1.00
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
ADRA2C P18825 2/20 0.44
GSK3A P49840 4/20 0.43
GSK3B P49841 4/20 0.43
SLC2A1 P11166 1/20 0.41
SCD O00767 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NOTUM Q6P988 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL2500333 0.81 GAA (0.68) GAAMAPTHTTSMN1; SMN2LMNA
SCHEMBL11291938 0.78 MAPT (0.64) GAAMAPTHTTADRA2CSLC2A1
SCHEMBL6542650 0.78 MAPT (0.69) GAAMAPTHTTADRA2CSLC2A1
SCHEMBL6225122 0.76 GAA (0.60) GAAMAPTHTTADRA2CSLC2A1
SCHEMBL12140714 0.74 GAA (0.58) GAAMAPTSMN1; SMN2LMNATSHR
SCHEMBL575038 0.74 GAA (0.59) GAAMAPTHTTGSK3AGSK3B
SCHEMBL20749289 0.73 TSHR (0.55) GAAADRA2CSMN1; SMN2LMNATSHR
SCHEMBL76608 0.73 MAPT (1.00) GAAMAPTHTTADRA2CLMNA
SCHEMBL29379717 0.73 MAPT (1.00) GAAMAPTHTTADRA2CLMNA
SCHEMBL1562625 0.72 TSHR (0.56) GAASMN1; SMN2LMNATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2581374-B1 Preparation of tetrahydropyrido[4,3-b]indole derivatives INST PHARM & TOXICOLOGY AMMS (CN) 2014-03-19 EP claimed
EP-2581374-A1 Preparation of tetrahydropyrido[4,3-b]indole derivatives Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2013-04-17 EP claimed
US-20120122914-A1 Sustained-release composition containing tetrahydropyrido[4,3-b]indole derivatives and preparation of the derivatives INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCE P.L.A.CHINA (CN) 2012-05-17 US claimed
EP-2417973-A1 SUSTAINED RELEASE COMPOSITION CONTAINING TETRAHYDROPYRIDO Ý4, 3-b¨INDOLE DERIVATIVE AND PREPARATION METHOD OF DERIVATIVE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2012-02-15 EP claimed
US-9149467-B2 Sustained-release composition containing tetrahydropyrido[4,3-b]indole derivatives and preparation of the derivatives INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCE P.L.A. CHINA (CN) 2015-10-06 US disclosed
EP-2581374-B1 Preparation of tetrahydropyrido[4,3-b]indole derivatives INST PHARM & TOXICOLOGY AMMS (CN) 2014-03-19 EP disclosed
EP-2417973-B1 SUSTAINED RELEASE COMPOSITION CONTAINING TETRAHYDROPYRIDO [4, 3-B]INDOLE DERIVATIVE INST PHARM & TOXICOLOGY AMMS (CN) 2013-08-28 EP disclosed
EP-2581374-A1 Preparation of tetrahydropyrido[4,3-b]indole derivatives Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2013-04-17 EP disclosed
US-20120122914-A1 Sustained-release composition containing tetrahydropyrido[4,3-b]indole derivatives and preparation of the derivatives INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCE P.L.A.CHINA (CN) 2012-05-17 US disclosed
EP-2417973-A1 SUSTAINED RELEASE COMPOSITION CONTAINING TETRAHYDROPYRIDO Ý4, 3-b¨INDOLE DERIVATIVE AND PREPARATION METHOD OF DERIVATIVE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2012-02-15 EP 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-20120122914-A1 Sustained-release composition containing tetrahydropyrido[4,3-b]indole derivatives and preparation of the derivatives HTT, HTR5A, HTR3B GAA 3762/4885MAPT 32/4885HTT 1/4885

“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.