SCHEMBL575049

SCHEMBL575049

Cc1ccc(CCN(N=O)c2ccccc2C)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
PLA2G7 Q13093 9/20 0.36
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
HRH1 P35367 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL575051 0.79 GAA (0.50) GAASMN1; SMN2TSHRPLA2G7MEN1
SCHEMBL575048 0.78 SMN1; SMN2 (0.41) GAASMN1; SMN2TSHRNPC1HTT
SCHEMBL585622 0.74 TSHR (0.45) GAASMN1; SMN2TSHRPLA2G7MEN1
SCHEMBL14865566 0.70 TSHR (0.34) GAASMN1; SMN2TSHRMEN1LMNA
SCHEMBL14308133 0.69 CHRNA7 (0.56) GAASMN1; SMN2TSHRMEN1LMNA
SCHEMBL20749289 0.68 TSHR (0.55) GAASMN1; SMN2TSHRPLA2G7MEN1
SCHEMBL1562625 0.67 TSHR (0.56) GAASMN1; SMN2TSHRPLA2G7MEN1
SCHEMBL15580643 0.65 SMN1; SMN2 (0.38) GAASMN1; SMN2TSHRMEN1LMNA
SCHEMBL1711026 0.65 SMN1; SMN2 (0.43) GAASMN1; SMN2NPC1HTTLMNA
SCHEMBL10144466 0.65 SMN1; SMN2 (0.51) GAASMN1; SMN2TSHRPLA2G7NPC1

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
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
US-8703952-B2 Synthesis of 9-(arylalkyl)-1,2,3,4-tetrahydro-γ-carboline and analogues and intermediates WISTA LABORATORIES LTD. (SG) 2014-04-22 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
US-20110245504-A1 SYNTHESIS OF 9-(ARYLALKYL)-1,2,3,4-TETRAHYDRO-y-CARBOLINE AND ANALOGUES AND INTERMEDIATES WISTA LABORATORIES LTD. 2011-10-06 US disclosed
WO-2010067085-A2 SYNTHESIS OF 9-(ARYLALKYL)-1,2,3,4-TETRAHYDRO-Υ-CARBOLINE AND ANALOGUES AND INTERMEDIATES WISTA LABORATORIES LTD. (SG) 2010-06-17 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 (2 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 3762/4885SMN1; SMN2 113/4885TSHR 3140/4885
US-20110245504-A1 SYNTHESIS OF 9-(ARYLALKYL)-1,2,3,4-TETRAHYDRO-y-CARBOLINE AND ANALOGUES AND INTERMEDIATES DDT, CYP2J2, CYP1B1 GAA 2943/4885SMN1; SMN2 4299/4885TSHR 3767/4885

“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.