SCHEMBL4021701

SCHEMBL4021701

O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.60
DHODH Q02127 2/20 0.59
MAPT P10636 2/20 0.56
ALOX15 P16050 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 1/20 0.56
KCNH2 Q12809 1/20 0.55
BRD3 Q15059 6/20 0.51
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
SIRT1 Q96EB6 4/20 0.47
CDC42 P60953 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
SIRT3 Q9NTG7 2/20 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
SCHEMBL4022197 0.89 CYP2D6 (0.61) CYP2D6DHODHMAPTALOX15SMN1; SMN2
SCHEMBL21114855 0.89 CYP2D6 (0.61) CYP2D6DHODHMAPTALOX15SMN1; SMN2
SCHEMBL29905613 0.89 CYP2D6 (0.61) CYP2D6DHODHMAPTALOX15SMN1; SMN2
SCHEMBL4021379 0.89 CYP2D6 (0.58) CYP2D6DHODHMAPTALOX15SMN1; SMN2
SCHEMBL4024942 0.88 CYP2D6 (0.60) CYP2D6DHODHMAPTALOX15SMN1; SMN2
SCHEMBL4021888 0.85 CYP2D6 (0.67) CYP2D6DHODHMAPTALOX15SMN1; SMN2
SCHEMBL4024141 0.85 CYP2D6 (0.67) CYP2D6DHODHMAPTALOX15SMN1; SMN2
SCHEMBL4025938 0.85 CYP2D6 (0.67) CYP2D6DHODHMAPTALOX15SMN1; SMN2
SCHEMBL4024328 0.85 CYP2D6 (0.57) CYP2D6DHODHMAPTALOX15SMN1; SMN2
SCHEMBL4025623 0.85 CYP2D6 (0.56) CYP2D6DHODHMAPTALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646610-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2009-07-22 EP claimed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US claimed
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-06 US claimed
EP-1646610-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2009-07-22 EP disclosed
US-20090170906-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-20090170906-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-20090170906-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US disclosed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US disclosed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US disclosed
EP-1819671-A2 HCV INHIBITORS WITH CARBAZOLE STRUCTURE SmithKline Beecham Corporation (US) 2007-08-22 EP disclosed
WO-2006118607-A2 HCV INHIBITORS WITH CARBAZOLE STRUCTURE SMITHKLINE BEECHAM CORPORATION (US) 2006-11-09 WO disclosed
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-06 US disclosed
EP-1646610-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SmithKline Beecham Corporation (US) 2006-04-19 EP disclosed
WO-2005005386-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORPORATION (US) 2005-01-20 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-20090170906-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 CYP2D6 994/4885DHODH 103/4885MAPT 1187/4885
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT CYP2D6 660/4885DHODH 62/4885MAPT 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.