SCHEMBL4150690

SCHEMBL4150690

COc1ccccc1NC1CCCc2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.69
KCNH2 Q12809 1/20 0.60
DHODH Q02127 1/20 0.51
BRD3 Q15059 2/20 0.46
CDC42 P60953 1/20 0.44
RB1 P06400 5/20 0.44
GAA P10253 1/20 0.43
CASP6 P55212 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2A P28223 4/20 0.42
HTR2C P28335 3/20 0.42
SIRT1 Q96EB6 1/20 0.42

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
SCHEMBL4967889 0.94 CYP2D6 (0.62) CYP2D6KCNH2DHODHBRD3CDC42
SCHEMBL22135764 0.84 CYP2D6 (0.59) CYP2D6KCNH2DHODHBRD3CDC42
SCHEMBL22135737 0.84 CYP2D6 (0.59) CYP2D6KCNH2DHODHBRD3CDC42
SCHEMBL4152266 0.84 CYP2D6 (0.73) CYP2D6KCNH2DHODHBRD3CDC42
SCHEMBL4142995 0.84 CYP2D6 (0.73) CYP2D6KCNH2DHODHBRD3CDC42
SCHEMBL4142710 0.83 CYP2D6 (0.73) CYP2D6KCNH2DHODHBRD3CDC42
SCHEMBL4024328 0.82 CYP2D6 (0.57) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4139855 0.82 CYP2D6 (1.00) CYP2D6KCNH2DHODHBRD3CDC42
SCHEMBL4150973 0.82 CYP2D6 (0.74) CYP2D6KCNH2DHODHBRD3GAA
Hydrochloric Acid SCHEMBL4137980 0.81 CYP2D6 (0.98) CYP2D6KCNH2DHODHBRD3CDC42

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 23 patents — showing the first 20. 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-9271960-B2 Tetrahydrocarbazoles as active agents for inhibiting VEGF production by translational control PTC THERAPEUTICS, INC. (US) 2016-03-01 US disclosed
US-9271960-B2 Tetrahydrocarbazoles as active agents for inhibiting VEGF production by translational control PTC THERAPEUTICS, INC. (US) 2016-03-01 US disclosed
US-9271960-B2 Tetrahydrocarbazoles as active agents for inhibiting VEGF production by translational control PTC THERAPEUTICS, INC. (US) 2016-03-01 US disclosed
US-20150141418-A1 TETRAHYDROCARBAZOLES AS ACTIVE AGENTS FOR INHIBITING VEGF PRODUCTION BY TRANSLATIONAL CONTROL PTC THERAPEUTICS, INC. (US) 2015-05-21 US disclosed
US-20150141418-A1 TETRAHYDROCARBAZOLES AS ACTIVE AGENTS FOR INHIBITING VEGF PRODUCTION BY TRANSLATIONAL CONTROL PTC THERAPEUTICS, INC. (US) 2015-05-21 US disclosed
US-20150141418-A1 TETRAHYDROCARBAZOLES AS ACTIVE AGENTS FOR INHIBITING VEGF PRODUCTION BY TRANSLATIONAL CONTROL PTC THERAPEUTICS, INC. (US) 2015-05-21 US disclosed
US-8946444-B2 Tetrahydrocarbazoles as active agents for inhibiting VEGF production by translational control PTC THERAPEUTICS, INC. (US) 2015-02-03 US disclosed
US-8946444-B2 Tetrahydrocarbazoles as active agents for inhibiting VEGF production by translational control PTC THERAPEUTICS, INC. (US) 2015-02-03 US disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
US-20090042866-A1 Tetrahydrocarbazoles as Active Agents for Inhibiting VEGF Production by Translational Control PTC THERAPEUTICS, INC. 2009-02-12 US disclosed
US-20090042866-A1 Tetrahydrocarbazoles as Active Agents for Inhibiting VEGF Production by Translational Control PTC THERAPEUTICS, INC. 2009-02-12 US disclosed
US-20090042866-A1 Tetrahydrocarbazoles as Active Agents for Inhibiting VEGF Production by Translational Control PTC THERAPEUTICS, INC. 2009-02-12 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 (4 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 994/4885KCNH2 4356/4885DHODH 103/4885
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT CYP2D6 660/4885KCNH2 4337/4885DHODH 62/4885
US-20090042866-A1 Tetrahydrocarbazoles as Active Agents for Inhibiting VEGF Production by Translational Control VEGFA, FLT4, KDR CYP2D6 4677/4885KCNH2 4634/4885DHODH 668/4885
US-20150141418-A1 TETRAHYDROCARBAZOLES AS ACTIVE AGENTS FOR INHIBITING VEGF PRODUCTION BY TRANSLATIONAL CONTROL VEGFA, FLT4, KDR CYP2D6 4677/4885KCNH2 4634/4885DHODH 668/4885

“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.