SCHEMBL2498559

SCHEMBL2498559

Cc1ccc(N(CCc2ccc(C)nc2)N=C2CCN(C)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.43
HTR6 P50406 2/20 0.43
BCHE P06276 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ACHE P22303 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 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
SCHEMBL15222178 0.85 HTR2C (0.37) HRH1HTR6BCHEADRA2ADRD2
SCHEMBL575048 0.77 SMN1; SMN2 (0.41) HRH1HTR6BCHEADRA2ADRD2
SCHEMBL15677119 0.70 KCNH2 (0.34) SMN1; SMN2GAATSHRKCNH2
SCHEMBL121248 0.70 TSHR (0.39) HRH1HTR6BCHEADRA2ADRD2
Hydrochloric Acid SCHEMBL119950 0.69 TSHR (0.38) HRH1HTR6BCHEADRA2ADRD2
SCHEMBL15580643 0.68 SMN1; SMN2 (0.38) HRH1HTR6BCHEADRA2ADRD2
SCHEMBL14308133 0.67 CHRNA7 (0.56) HRH1SMN1; SMN2LMNAGAATSHR
SCHEMBL18772798 0.67 SMN1; SMN2 (0.49) HRH1HTR6BCHEADRA2ADRD2
SCHEMBL1120478 0.66 SMN1; SMN2 (0.38) HRH1HTR6BCHEADRA2ADRD2
SCHEMBL1711026 0.65 SMN1; SMN2 (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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 HRH1 343/4885HTR6 7/4885BCHE 128/4885
US-20110245504-A1 SYNTHESIS OF 9-(ARYLALKYL)-1,2,3,4-TETRAHYDRO-y-CARBOLINE AND ANALOGUES AND INTERMEDIATES DDT, CYP2J2, CYP1B1 HRH1 2463/4885HTR6 261/4885BCHE 1660/4885

“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.