SCHEMBL3650828

SCHEMBL3650828

O=C1CNCCN1c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.58
HTR5A P47898 2/20 0.58
HSD17B10 Q99714 2/20 0.58
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
CYP1A2 P05177 1/20 0.58
HTR1A P08908 1/20 0.58
CYP2D6 P10635 1/20 0.58
NCF1 P14598 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
HTR1D P28221 1/20 0.58
HTR1B P28222 1/20 0.58
HTR2A P28223 1/20 0.58
HTR7 P34969 1/20 0.58
MTOR P42345 1/20 0.58
HTR3A P46098 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
SIGMAR1 Q99720 1/20 0.58

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
Hydrochloric Acid SCHEMBL3660237 0.98 ALDH1A1 (0.59) HTR6HTR5AHSD17B10HTR3EHTR3B
SCHEMBL7397905 0.80 SCN9A (0.53) HTR6HTR5AHSD17B10HTR3EHTR3B
SCHEMBL1626105 0.80 POLB (0.49) HTR6HTR5AHSD17B10HTR3EHTR3B
SCHEMBL21919929 0.79 GSK3A (0.42) HTR6HTR5AHSD17B10HTR3EHTR3B
SCHEMBL23064632 0.79 MGLL (0.41) HTR6SIGMAR1P2RX7
SCHEMBL3653056 0.79 ADRB1 (0.54) HTR1AHTR2AHTR7HTR3AP2RX7
SCHEMBL1814949 0.79 ADRB1 (0.56) HTR2AP2RX7
SCHEMBL30734147 0.79 MEN1 (0.58) CYP1A2HTR1ACYP2D6HTR7ALDH1A1
SCHEMBL31176347 0.79 ADRB1 (0.54) HTR1AHTR2AHTR7HTR3AP2RX7
SCHEMBL1583869 0.79 MEN1 (0.58) CYP1A2HTR1ACYP2D6HTR7ALDH1A1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311749-A1 4-BENZOYL-1-SUBSTITUTED-PIPERAZIN-2-ONE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-12-09 US disclosed
EP-2212300-A1 4-BENZ0YL-1-SUBSTITUTED-PIPERAZIN-2-0NE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2010-08-04 EP disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
WO-2009053459-A1 4-BENZ0YL-1-SUBSTITUTED-PIPERAZIN-2-0NE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2009-04-30 WO disclosed
EP-1534292-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-04-02 EP disclosed
EP-1578429-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-12-06 EP disclosed
EP-1511745-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-11-15 EP disclosed
US-7109233-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 US disclosed
EP-1511492-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-09 EP disclosed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US disclosed
WO-2003103574-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 WO disclosed
WO-2003104257-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 WO disclosed
WO-2003099844-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-04 WO disclosed
WO-2003097593-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-11-27 WO disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP disclosed
CN-1416346-A Peotease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-05-07 CN disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO disclosed
WO-1999041242-A1 DI-SUBSTITUTED NAPHTHYL DERIVATIVES, PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-08-19 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 (3 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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ HTR6 3128/4885HTR5A 3581/4885HSD17B10 3547/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ HTR6 2500/4885HTR5A 3492/4885HSD17B10 3401/4885
US-20100311749-A1 4-BENZOYL-1-SUBSTITUTED-PIPERAZIN-2-ONE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX3, P2RX2 HTR6 158/4885HTR5A 226/4885HSD17B10 4169/4885

“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.