SCHEMBL4147497

SCHEMBL4147497

Clc1ccc2[nH]c3c(c2c1)CCCC3Nc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.74
ALOX15 P16050 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MAPT P10636 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
GLA P06280 1/20 0.65
MAPK1 P28482 1/20 0.63
DHODH Q02127 1/20 0.60
SIRT1 Q96EB6 7/20 0.55
SIRT2 Q8IXJ6 3/20 0.54
SIRT3 Q9NTG7 2/20 0.54
HTR2A P28223 3/20 0.53
HTR2C P28335 2/20 0.53
CDC42 P60953 1/20 0.52
KCNH2 Q12809 1/20 0.50
TSHR P16473 1/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
RB1 P06400 1/20 0.49

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
SCHEMBL4148681 0.93 ALOX15 (0.68) CYP2D6ALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4148059 0.88 MAPT (0.63) CYP2D6ALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4143028 0.88 MAPT (0.63) CYP2D6ALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4156108 0.85 CYP2D6 (0.74) CYP2D6ALOX15SMN1; SMN2MAPTMEN1
SCHEMBL16946169 0.85 CYP2D6 (0.74) CYP2D6ALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4139855 0.85 CYP2D6 (1.00) CYP2D6ALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4148696 0.85 ALOX15 (0.59) CYP2D6ALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4157241 0.85 ALOX15 (0.59) CYP2D6ALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4144167 0.84 CYP2D6 (0.73) CYP2D6ALOX15SMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL4137980 0.84 CYP2D6 (0.98) CYP2D6ALOX15SMN1; SMN2MAPTMEN1

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 14 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
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
EP-1654228-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2004110999-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORPORATION (US) 2004-12-23 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-20090156621-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 CYP2D6 994/4885ALOX15 1407/4885SMN1; SMN2 4443/4885
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT CYP2D6 660/4885ALOX15 939/4885SMN1; SMN2 4735/4885

“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.