SCHEMBL4023041

SCHEMBL4023041

O=C(Cc1ccccc1)NC1CCCc2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.65
KCNH2 Q12809 1/20 0.59
BRD3 Q15059 7/20 0.53
MAPT P10636 2/20 0.53
ALOX15 P16050 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
DHODH Q02127 2/20 0.51
CDC42 P60953 1/20 0.51
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45
CASP6 P55212 1/20 0.45
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
SIRT1 Q96EB6 2/20 0.43
SIGMAR1 Q99720 1/20 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
SCHEMBL4023160 0.91 CYP2D6 (0.61) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL4024163 0.86 CYP2D6 (0.60) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL4028639 0.86 CYP2D6 (0.67) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL16433451 0.85 CYP2D6 (0.59) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL4024141 0.85 CYP2D6 (0.67) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL4021888 0.85 CYP2D6 (0.67) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL4025938 0.85 CYP2D6 (0.67) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL4156355 0.84 CYP2D6 (0.64) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL4025034 0.83 CYP2D6 (0.71) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL22135733 0.83 CYP2D6 (0.70) CYP2D6KCNH2BRD3MAPTALOX15

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 13 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
CN-107739371-B Tetrahydrocarbazole micromolecule organic compound, application thereof in preparing antibacterial drugs and preparation method thereof 华东师范大学 2020-08-25 CN disclosed
EP-1646610-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2009-07-22 EP disclosed
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
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-06 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-20090170906-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 CYP2D6 994/4885KCNH2 4356/4885BRD3 4059/4885
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT CYP2D6 660/4885KCNH2 4337/4885BRD3 22/4885

“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.