SCHEMBL2500333

SCHEMBL2500333

Cc1ccc(CCNc2ccccc2)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.55
F2 P00734 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRIN2B Q13224 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
NAMPT P43490 1/20 0.40
LTA4H P09960 1/20 0.40
HTR7 P34969 2/20 0.40
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL575038 0.87 GAA (0.59) GAAL3MBTL1TSHRSMN1; SMN2HRH3
SCHEMBL27926526 0.84 GAA (0.56) GAAL3MBTL1TSHRSMN1; SMN2HRH3
SCHEMBL3844597 0.83 LTA4H (0.59) GAAL3MBTL1MAPTALDH1A1NAMPT
SCHEMBL575040 0.81 GAA (1.00) GAATSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL1562625 0.78 TSHR (0.56) GAATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL10055000 0.78 L3MBTL1 (0.86) GAAL3MBTL1F2KCNH2GRIN2B
SCHEMBL248884 0.77 L3MBTL1 (0.70) L3MBTL1F2KCNH2GRIN2BMAPT
SCHEMBL12140714 0.77 GAA (0.58) GAATSHRSMN1; SMN2HRH3MAPT
SCHEMBL5307781 0.76 LTA4H (0.69) L3MBTL1F2KCNH2GRIN2BSMN1; SMN2
SCHEMBL20749289 0.75 TSHR (0.55) GAAGRIN2BTSHRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20110245504-A1 SYNTHESIS OF 9-(ARYLALKYL)-1,2,3,4-TETRAHYDRO-y-CARBOLINE AND ANALOGUES AND INTERMEDIATES DDT, CYP2J2, CYP1B1 GAA 2943/4885L3MBTL1 3827/4885F2 2164/4885

“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.