SCHEMBL4134983

SCHEMBL4134983

COc1ccc2[nH]c3c(c2c1)CCCC3Nc1ncccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.55
CYP2D6 P10635 3/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HTR2B P41595 1/20 0.49
DHODH Q02127 1/20 0.48
MAPKAPK2 P49137 4/20 0.47
PRMT5 O14744 1/20 0.46
EIF2AK2 P19525 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
MAPKAPK5 Q8IW41 1/20 0.45
HTR7 P34969 2/20 0.44
CHRM4 P08173 1/20 0.44
DRD2 P14416 1/20 0.44
BRD3 Q15059 1/20 0.44
GAA P10253 1/20 0.44
CASP6 P55212 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL4147416 0.85 GAA (0.60) SIRT1CYP2D6MAPTDHODHPRMT5
SCHEMBL4138606 0.85 SIRT1 (0.49) SIRT1CYP2D6MAPTALDH1A1HTR2B
SCHEMBL4134717 0.83 DHODH (0.66) SIRT1CYP2D6MAPTDHODHMEN1
SCHEMBL4144553 0.83 CYP2D6 (0.71) CYP2D6MAPTALDH1A1DHODHPRMT5
SCHEMBL16433472 0.83 SIRT1 (0.63) SIRT1CYP2D6MAPTALDH1A1HTR2B
Hydrochloric Acid SCHEMBL4134770 0.82 CYP2D6 (0.70) CYP2D6MAPTALDH1A1DHODHBRD3
SCHEMBL4143699 0.81 RB1 (0.62) SIRT1CYP2D6MAPTALDH1A1DHODH
SCHEMBL31120774 0.80 DHODH (0.76) SIRT1MAPTDHODHMAPKAPK2MAPKAPK5
SCHEMBL4150978 0.80 CYP2D6 (0.67) CYP2D6MAPTALDH1A1DHODHBRD3
Hydrochloric Acid SCHEMBL21957635 0.78 SIRT1 (0.63) SIRT1CYP2D6MAPTALDH1A1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP claimed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US claimed
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-20 US claimed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-20 US 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-20090156621-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 SIRT1 418/4885CYP2D6 994/4885MAPT 1187/4885
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT SIRT1 1590/4885CYP2D6 660/4885MAPT 1102/4885

“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.